⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12377587 | 0.85 | KMT2A (0.50) | — | |
| SCHEMBL2019871 | 0.78 | — | — | |
| SCHEMBL7516148 | 0.78 | — | — | |
| SCHEMBL2019873 | 0.78 | — | — | |
| SCHEMBL4688305 | 0.77 | — | — | |
| SCHEMBL4688312 | 0.77 | — | — | |
| SCHEMBL11447006 | 0.75 | — | — | |
| SCHEMBL318398 | 0.73 | — | — | |
| SCHEMBL109760 | 0.73 | — | — | |
| SCHEMBL109761 | 0.73 | — | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112374975-A | Preparation method of 3-isopropyl-3-butene-2-ketone | 上海万香日化有限公司 | 2021-02-19 | — | — | CN | disclosed |
| US-7488748-B2 | 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists | RANBAXY LABORATORIES LIMITED (IN) | 2009-02-10 | — | — | US | disclosed |
| EP-1962863-A2 | ORALLY ACTIVE PURINE-BASED INHIBITORS OF HEAT SHOCK PROTEIN 90 | Conforma Therapeutics Corporation (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007075572-A2 | ORALLY ACTIVE PURINE-BASED INHIBITORS OF HEAT SHOCK PROTEIN 90 | CONFORMA THERAPEUTICS CORPORATION (US) | 2007-07-05 | — | — | WO | disclosed |
| US-20060247225-A1 | 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists | RANBAXY LABORATORIES LIMITED (IN) | 2006-11-02 | — | — | US | disclosed |
| EP-1590325-A1 | 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS | RANBAXY LABORATORIES, LTD. (IN) | 2005-11-02 | — | — | EP | disclosed |
| EP-1440072-A4 | PURINE ANALOGS HAVING HSP90-INHIBITING ACTIVITY | CONFORMA THERAPEUTIC CORP (US) | 2005-02-02 | — | — | EP | disclosed |
| WO-2004067510-A1 | 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS | RANBAXY LABORATORIES LIMITED (IN) | 2004-08-12 | — | — | WO | disclosed |
| EP-1440072-A2 | PURINE ANALOGS HAVING HSP90-INHIBITING ACTIVITY | Conforma Therapeutic Corporation (US) | 2004-07-28 | — | — | EP | disclosed |
| WO-2003037860-A2 | PURINE ANALOGS HAVING HSP90-INHIBITING ACTIVITY | CONFORMA THERAPEUTICS CORPORATION (US) | 2003-05-08 | — | — | WO | disclosed |
| US-6221334-B1 | Metal complexes derivatized with folate for use in diagnostic and therapeutic applications | BRACCO RESEARCH USA, INC. | 2001-04-24 | — | — | US | disclosed |
| EP-1077729-A2 | METAL COMPLEXES DERIVATIZED WITH FOLATE FOR USE IN DIAGNOSTIC AND THERAPEUTIC APPLICATIONS | BRACCO INTERNATIONAL B.V. (NL) | 2001-02-28 | — | — | EP | disclosed |
| EP-0788489-A4 | HETEROCYCLIC COMPOUNDS AND THEIR USE | LILLY CO ELI (US) | 2000-11-15 | — | — | EP | disclosed |
| EP-0977749-A1 | BI-AROMATIC COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME | Galderma Research & Development (FR) | 2000-02-09 | — | — | EP | disclosed |
| WO-1999059640-A2 | METAL COMPLEXES DERIVATIZED WITH FOLATE FOR USE IN DIAGNOSTIC AND THERAPEUTIC APPLICATIONS | BRACCO INTERNATIONAL B.V. (NL) | 1999-11-25 | — | — | WO | disclosed |
| WO-1998056783-A1 | BI-AROMATIC COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME | GALDERMA RESEARCH & DEVELOPMENT (FR) | 1998-12-17 | — | — | WO | disclosed |
| EP-0788489-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE | ELI LILLY AND COMPANY (US) | 1997-08-13 | — | — | EP | disclosed |
| WO-1997017955-A1 | METHOD FOR TREATING ANXIETY | ELI LILLY AND COMPANY (US) | 1997-05-22 | — | — | WO | disclosed |
| WO-1996012711-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE | ELI LILLY AND COMPANY (US) | 1996-05-02 | — | — | WO | disclosed |