⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6982919 | 0.71 | — | — | |
| SCHEMBL6981767 | 0.71 | — | — | |
| SCHEMBL17326085 | 0.69 | GAA (0.44) | — | |
| SCHEMBL12683593 | 0.69 | — | — | |
| SCHEMBL8930505 | 0.69 | — | — | |
| SCHEMBL1412453 | 0.69 | — | — | |
| SCHEMBL1412451 | 0.69 | — | — | |
| SCHEMBL10525781 | 0.67 | — | — | |
| SCHEMBL16664169 | 0.67 | — | — | |
| SCHEMBL10525776 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017218633-A1 | 6-HYDROXY-5-(PHENYL/HETEROARYLSULFONYL)PYRIMIDIN-4(1H)-ONE AS APJ AGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-12-21 | — | — | WO | disclosed |
| US-20160368870-A1 | OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-12-22 | — | — | US | disclosed |