⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29838200 | 0.77 | MCL1 (0.39) | — | |
| SCHEMBL28764956 | 0.75 | MCL1 (0.34) | — | |
| SCHEMBL10833402 | 0.74 | — | — | |
| SCHEMBL5581822 | 0.74 | — | — | |
| SCHEMBL3293733 | 0.74 | — | — | |
| SCHEMBL28863955 | 0.70 | — | — | |
| SCHEMBL7982196 | 0.70 | — | — | |
| SCHEMBL28949951 | 0.69 | MCL1 (0.33) | — | |
| SCHEMBL11153273 | 0.69 | MCL1 (0.33) | — | |
| SCHEMBL1345605 | 0.68 | DAO (0.35) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1527070-B1 | AZOLE METHYLIDENE CYANIDE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS | MERCK SERONO SA (CH) | 2013-01-09 | — | — | EP | disclosed |
| US-7465736-B2 | Azole methylidene cyanide derivatives and their use as protein kinase modulators | LABORATOIRES SERONO S.A. (CH) | 2008-12-16 | — | — | US | disclosed |
| US-20070123530-A1 | Azole methylidene cyanide derivatives and their use as protein kinase modulators | MERCK SERONO SA (CH) | 2007-05-31 | — | — | US | disclosed |
| EP-1527070-A1 | AZOLE METHYLIDENE CYANIDE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS | Applied Research Systems ARS Holding N.V. (AN) | 2005-05-04 | — | — | EP | disclosed |
| WO-2003106455-A1 | AZOLE METHYLIDENE CYANIDE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) | 2003-12-24 | — | — | WO | disclosed |