⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL9266827 | 0.98 | CCR4 (0.37) | — | |
| SCHEMBL20415484 | 0.79 | TSHR (0.35) | — | |
| SCHEMBL313040 | 0.74 | CYP1A2 (0.38) | — | |
| SCHEMBL12982808 | 0.73 | — | — | |
| SCHEMBL3514389 | 0.73 | — | — | |
| SCHEMBL179318 | 0.73 | — | — | |
| SCHEMBL20780330 | 0.73 | CCR4 (0.36) | — | |
| SCHEMBL12558853 | 0.73 | CCR4 (0.36) | — | |
| SCHEMBL3678752 | 0.73 | CYP1A2 (0.38) | — | |
| SCHEMBL2264899 | 0.71 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9850206-B2 | S1P and/or ATX modulating agents | BIOGEN MA INC. (US) | 2017-12-26 | — | — | US | disclosed |
| US-9814722-B2 | Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors | INCYTE HOLDINGS CORPORATION (US) | 2017-11-14 | — | — | US | disclosed |
| US-20170174710-A1 | COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS | BIOGEN MA INC. | 2017-06-22 | — | — | US | disclosed |
| US-20170087158-A1 | JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES | INCYTE CORPORATION (US) | 2017-03-30 | — | — | US | disclosed |
| US-8637507-B2 | Bicyclic compounds as inhibitors of diacylglycerol acyltransferase | MERCK SHARP & DOHME CORP. (US) | 2014-01-28 | — | — | US | disclosed |
| EP-2250174-B1 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARMACEUTICALS INC (US) | 2013-08-28 | — | — | EP | disclosed |
| US-20120022057-A1 | BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE | SCHERING CORPORATION (US) | 2012-01-26 | — | — | US | disclosed |
| US-20110319403-A1 | BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE | SCHERING CORPORATION (US) | 2011-12-29 | — | — | US | disclosed |
| US-20110224137-A1 | INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE | MERCK SHARP & DOHME CORP. | 2011-09-15 | — | — | US | disclosed |
| US-20110224136-A1 | INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE | MERCK SHARP & DOHME CORP | 2011-09-15 | — | — | US | disclosed |
| US-20110224136-A1 | INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE | MERCK SHARP & DOHME CORP | 2011-09-15 | — | — | US | disclosed |