⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3861041 | 0.69 | — | — | |
| SCHEMBL1096642 | 0.66 | GSK3B (0.38) | — | |
| SCHEMBL336815 | 0.59 | — | — | |
| SCHEMBL4594974 | 0.59 | — | — | |
| SCHEMBL1690923 | 0.59 | — | — | |
| SCHEMBL2205490 | 0.55 | — | — | |
| Hydrochloric Acid SCHEMBL2261252 | 0.53 | — | — | |
| Hydrochloric Acid SCHEMBL2262288 | 0.53 | — | — | |
| SCHEMBL3626475 | 0.48 | — | — | |
| Hydrochloric Acid SCHEMBL28869240 | 0.48 | — | — |
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 203 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2318355-B1 | 1,1'-DIADAMANTYL CARBOXYLIC ACIDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | BOEHRINGER INGELHEIM INT (DE) | 2018-09-12 | — | — | EP | claimed |
| EP-2496559-B1 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE AND THEIR USE AS HSD 1 INHIBITORS | VITAE PHARMACEUTICALS INC (US) | 2018-01-10 | — | — | EP | claimed |
| EP-2350068-B1 | UREA DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | BOEHRINGER INGELHEIM INT (DE) | 2017-08-30 | — | — | EP | claimed |
| US-9663470-B2 | Aryl- and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline | VITAE PHARMACEUTICALS, INC. (US) | 2017-05-30 | — | — | US | claimed |
| EP-2288596-B1 | ALICYCLIC CARBOXYLIC ACID DERIVATIVES OF BENZOMORPHANS AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | BOEHRINGER INGELHEIM INT (DE) | 2016-11-30 | — | — | EP | claimed |
| US-20160272590-A1 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-09-22 | — | — | US | claimed |
| US-9328072-B2 | Aryl-and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline | VITAE PHARMACEUTICALS, INC. (US) | 2016-05-03 | — | — | US | claimed |
| EP-2318403-B1 | Aryl- and heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use | BOEHRINGER INGELHEIM INT (DE) | 2015-12-23 | — | — | EP | claimed |
| US-9073870-B2 | Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-07-07 | — | — | US | claimed |
| US-8859580-B2 | Aryl- and heteroarylcarbonyl derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-10-14 | — | — | US | claimed |
| US-20040122228-A1 | New purine derivatives, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-06-24 | — | — | US | claimed |
| US-20040077645-A1 | Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment | BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) | 2004-04-22 | — | — | US | claimed |
| EP-1392294-A1 | 7,8-FUSED 4$I(H)-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF | Cytovia, Inc. (US) | 2004-03-03 | — | — | EP | claimed |
| EP-1392283-A1 | SUBSTITUTED COUMARINS AND QUINOLINES AS CASPASES ACTIVATORS | Cytovia, Inc. (US) | 2004-03-03 | — | — | EP | claimed |
| WO-2002092076-A1 | SUBSTITUTED COUMARINS AND QUINOLINES AS CASPASES ACTIVATORS | CYTOVIA, INC. (US) | 2002-11-21 | — | — | WO | claimed |
| WO-2002092083-A1 | 7,8-FUSED 4$I(H)-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF | CYTOVIA, INC. (US) | 2002-11-21 | — | — | WO | claimed |
| US-5955464-A | USE OF THE RECEPTOR TYROSINE KINASE INHIBITORY PROPERTIES OF THE COMPOUNDS IN THE TREATMENT OF PROLIFERATIVE DISEASE SUCH AS CANCER | ZENECA LIMITED (GB) | 1999-09-21 | — | — | US | claimed |
| EP-0794953-B1 | QUINAZOLINE DERIVATIVES | ZENECA LTD (GB) | 1999-05-06 | — | — | EP | claimed |
| US-4736026-A | REATING A 2-AMINOTHIAZOL-4-YL-2(SYN)-ALKOXYIMINOACETAMIDE AND A 7-AMINO-3-HET-METHYL-3-CEPHEM-4-CARBOXYLATE USING BORON TRIFLUORIDE CATALYST AND SOLVENT | TOYAMA CHEMICAL CO., LTD. (JP) | 1988-04-05 | — | — | US | claimed |
| US-4614819-A | REACTING A THIOL ESTER COMPOUND WITH 7-AMINOCEPHALOSPORIN IN PRESENCE OF BORON TRIFLUORIDE | TOYAMA CHEMICAL CO., LTD. (JP) | 1986-09-30 | — | — | US | claimed |