⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2450959 | 0.91 | CA2 (0.56) | — | |
| SCHEMBL1058394 | 0.84 | — | — | |
| SCHEMBL8801482 | 0.78 | — | — | |
| SCHEMBL5406214 | 0.78 | — | — | |
| SCHEMBL9396214 | 0.77 | CA2 (0.59) | — | |
| SCHEMBL2561632 | 0.77 | CA2 (0.80) | — | |
| Hno SCHEMBL15152291 | 0.76 | CA2 (0.52) | — | |
| SCHEMBL10665698 | 0.74 | CA2 (0.76) | — | |
| SCHEMBL9696146 | 0.74 | — | — | |
| SCHEMBL919072 | 0.74 | — | — |
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 393 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-2220048-B1 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | BOEHRINGER INGELHEIM INT (DE) | 2017-01-25 | — | — | EP | 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-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-8765780-B2 | Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-07-01 | — | — | US | claimed |
| US-20140179669-A1 | Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-06-26 | — | — | US | claimed |
| US-20030022881-A1 | Novel carbapenem derivatives of quarternary salt type | MEIJI SEIKA KAISHA, LTD. (JP) | 2003-01-30 | — | — | US | claimed |
| WO-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | claimed |
| EP-1251134-A1 | NOVEL CARBAPENEM DERIVATIVES OF QUATERNARY SALT TYPE | MEIJI SEIKA KAISHA LTD. (JP) | 2002-10-23 | — | — | EP | claimed |
| US-6117840-A | INHIBITS BINDING BETWEEN VLA-4 RECEPTOR EXPRESSED ON INFLAMMATORY LEUKOCYTES AND FIBRONECTIN CS-1 PEPTIDE EXPRESSED ON ENDOTHELIAL CELLS THAT ARE INVOLVED IN IMMUNOINFLAMMATORY DISEASE STATES | CYTEL CORPORATION (US) | 2000-09-12 | — | — | US | claimed |
| EP-0737204-A4 | CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME | CYTEL CORP (US) | 1999-06-23 | — | — | EP | claimed |
| EP-0737204-A1 | CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME | CYTEL CORPORATION (US) | 1996-10-16 | — | — | EP | claimed |
| WO-1995015973-A1 | CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME | CYTEL CORPORATION (US) | 1995-06-15 | — | — | WO | claimed |
| US-4822790-A | ANTIMICROBIOCIDES OR BETA-LACTAMASE INHIBITORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1989-04-18 | — | — | US | claimed |
| EP-0133678-A2 | New cephem compounds, processes for preparation thereof and pharmaceutical compositions containing them | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1985-03-06 | — | — | EP | claimed |
| US-4416817-A | BACTERICIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1983-11-22 | — | — | US | claimed |