⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL516356 | 0.83 | — | — | |
| SCHEMBL8210212 | 0.78 | — | — | |
| SCHEMBL845004 | 0.78 | — | — | |
| SCHEMBL22626879 | 0.77 | — | — | |
| SCHEMBL18901171 | 0.75 | — | — | |
| SCHEMBL16373202 | 0.73 | — | — | |
| SCHEMBL22216363 | 0.73 | — | — | |
| SCHEMBL30475073 | 0.73 | — | — | |
| SCHEMBL12593651 | 0.73 | — | — | |
| SCHEMBL10080235 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2651899-B1 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2017-05-31 | — | — | EP | disclosed |
| EP-2321308-B1 | PIPERIDINE GPCR AGONISTS | PROSIDION LTD (GB) | 2012-05-09 | — | — | EP | disclosed |
| WO-2012011707-A2 | SUBSTITUTED PYRIDINONE DERIVATIVES AND METHODS FOR MANUFACTURING THE SAME | HYUNDAI PHARM CO., LTD. (KR) | 2012-01-26 | — | — | WO | disclosed |