⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8091258 | 0.79 | — | — | |
| SCHEMBL3156494 | 0.75 | TAAR1 (0.50) | — | |
| SCHEMBL21089 | 0.74 | MIF (0.44) | — | |
| Water SCHEMBL29040332 | 0.72 | MIF (0.43) | — | |
| SCHEMBL22471901 | 0.72 | MIF (0.43) | — | |
| Water SCHEMBL14972874 | 0.72 | MIF (0.43) | — | |
| SCHEMBL6472006 | 0.72 | MME (0.40) | — | |
| SCHEMBL13667837 | 0.71 | — | — | |
| SCHEMBL1443148 | 0.71 | — | — | |
| SCHEMBL4380165 | 0.70 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11597727-B2 | Inhibitors of integrin alpha 2 beta 1 and methods of use | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2023-03-07 | — | — | US | disclosed |
| US-20210387986-A1 | INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2021-12-16 | — | — | US | disclosed |
| EP-3765005-A1 | INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE | The Regents of the University of California (US) | 2021-01-20 | — | — | EP | disclosed |
| WO-2019178248-A1 | INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2019-09-19 | — | — | WO | disclosed |
| EP-2698370-A2 | 3-substituted-4-oxo-3,4-dihydro-imidazo-[5,1-d][1,2,3,5]-tetrazine-8-carboxylic acid amides as anticancer agents | Pharminox Limited (GB) | 2014-02-19 | — | — | EP | disclosed |
| US-20130338104-A1 | 3-Substituted-4-Oxo-3,4-Dihydro-Imidazo[5,1-d]1,2,3,5-Tetrazine-8-Carboxylic Acid Amides and Their Use | PHARMINOX LIMITED (GB) | 2013-12-19 | — | — | US | disclosed |
| US-8450479-B2 | 3-substituted-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5-tetrazine-8-carboxylic acid amides and their use | PHARMINOX LIMITED (GB) | 2013-05-28 | — | — | US | disclosed |
| US-8450479-B2 | 3-substituted-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5-tetrazine-8-carboxylic acid amides and their use | PHARMINOX LIMITED (GB) | 2013-05-28 | — | — | US | disclosed |
| US-8450479-B2 | 3-substituted-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5-tetrazine-8-carboxylic acid amides and their use | PHARMINOX LIMITED (GB) | 2013-05-28 | — | — | US | disclosed |
| CN-101945874-A | 3-substituted-4-oxo-3, 4-dihydro-imidazo [5,1-d ] [1,2,3,5] -tetrazine-8-carboxamides as anticancer agents | PHARMINOX LTD | 2011-01-12 | — | — | CN | disclosed |
| US-5639892-A | ANTIDEPRESSANTS, ALZHEIMER'S DISEASE | HOECHST-MARION-ROUSSEL, INC. (US) | 1997-06-17 | — | — | US | disclosed |
| US-5621114-A | REACTING A THIO OR PHENOL COMPOUND WITH 1,1-CARBONYLIMIDAZOLE OR 1,1-THIOCARBONYLDIIMIDAZOLE, REACTING THE INTERMEDIATE WITH SECONDARY AMINE COMPOUND; USEFUL AS ANALGESIC AND MEMORY ENHANCING AGENT | HOECHST MARION ROUSSEL, INC. (US) | 1997-04-15 | — | — | US | disclosed |
| US-5550254-A | REACTING CARBOXYLIC ACID WITH CARBONYLDIIMIDAZOLE OR THIOCARBONYLDIIMIDAZOLE, ADDING PHENOL OR THIOPHENOL COMPOUND | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1996-08-27 | — | — | US | disclosed |
| US-5550253-A | REACTING PHENOL OR THIOPHENOL DERIVATIVE WITH LOWER ALKYL P-TOLUENESULFONATE, OPTIONALLY REDUCING NITRO GROUPS TO AMINO GROUPS AND ACYLATING OR ALKYLATING THEM | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1996-08-27 | — | — | US | disclosed |
| US-5547977-A | Memory enhancing and analgesic 1,2,3,3A,8,8A-hexahydro-3A,8(and 1,3A,8)-di (and Tri) methylpyrrolo (2,3-B) indoles | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1996-08-20 | — | — | US | disclosed |
| US-5541340-A | Method of preparing 1,2,3,3a,8,8a-hexahydro-3a,8(and 1,3a,8)-Di(and Tri)methylpyrrolo[2,3,-b] indoles | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1996-07-30 | — | — | US | disclosed |
| US-5541216-A | Memory enhancing and analgsic 1,2,3,3A,8,8A-Hexahydro--3A, 8(And1,3A,8)-Di (and Tri) Methylpyrrolo(2,3-B Indoles | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1996-07-30 | — | — | US | disclosed |
| US-5187165-A | Eseroline derivatives; cholinergic agents; antidepressants | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1993-02-16 | — | — | US | disclosed |
| US-4791107-A | Memory enhancing and analgesic 1,2,3,3A,8,8A-hexahydro-3A,8 (and) 1,3A,8)-di(and tri)methylpyrrolo(2,3-B)indoles, compositions and use | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1988-12-13 | — | — | US | disclosed |
| EP-0253372-A2 | 1,2,3,3a,8,8a-Hexahydro-1,3a,8-trimethylpyrrolo[2,3-b]indoles, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1988-01-20 | — | — | EP | disclosed |