⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18647822 | 0.82 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL4351251 | 0.78 | — | — | |
| SCHEMBL20038509 | 0.77 | HRH3 (0.50) | — | |
| SCHEMBL1749889 | 0.76 | — | — | |
| SCHEMBL8255191 | 0.76 | — | — | |
| SCHEMBL4351240 | 0.76 | — | — | |
| SCHEMBL13419141 | 0.76 | — | — | |
| SCHEMBL12961895 | 0.76 | — | — | |
| SCHEMBL3797370 | 0.76 | — | — | |
| SCHEMBL4163162 | 0.76 | CHRNB2 (0.47) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016079710-A1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2016-05-26 | — | — | WO | disclosed |
| EP-2331531-B1 | THERAPEUTIC SUBSTITUTED PYRROLES | ALLERGAN INC (US) | 2013-08-07 | — | — | EP | disclosed |
| US-20120264740-A1 | POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS | RIGEL PHARMACEUTICALS, INC. (US) | 2012-10-18 | — | — | US | disclosed |
| US-8168636-B2 | Polycyclic heteroaryl substituted triazoles useful as Axl inhibitors | RIGEL PHARMACEUTICALS, INC. (US) | 2012-05-01 | — | — | US | disclosed |
| US-8088805-B2 | Inhibitors of histone deacetylase | METHYLGENE INC. (CA) | 2012-01-03 | — | — | US | disclosed |
| US-20110098274-A1 | POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS | RIGEL PHARMACEUTICALS, INC. (US) | 2011-04-28 | — | — | US | disclosed |
| WO-2010091413-A1 | LINKED DIBENZIMIDAZOLE DERIVATIVES | ENANTA PHARMACEUTICALS, INC. (US) | 2010-08-12 | — | — | WO | disclosed |
| US-7709482-B2 | angiogenesis and/or cell proliferation, carcinoma, myeloid leukemia, endometriosis; inhibitors of the receptor protein tyrosine kinase; N3-(3-cyclopentyl-1,2,3,4,5,6-hexahydrobenzo[d]azocin-8-yl)-1-(6-fluoroquinazolin-4-yl)-1H-1,2,4-triazole-3,5-diamine | RIGEL PHARMACEUTICALS, INC. (US) | 2010-05-04 | — | — | US | disclosed |
| US-20080188455-A1 | POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS | RIGEL PHARMACEUTICALS, INC. (US) | 2008-08-07 | — | — | US | disclosed |