⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6470367 | 1.00 | — | — | |
| SCHEMBL7040352 | 0.92 | FAAH (0.46) | — | |
| SCHEMBL10732310 | 0.90 | FAAH (0.50) | — | |
| SCHEMBL14118701 | 0.90 | FAAH (0.50) | — | |
| SCHEMBL7686034 | 0.90 | FAAH (0.50) | — | |
| SCHEMBL7686377 | 0.83 | — | — | |
| SCHEMBL28779454 | 0.74 | TSHR (0.38) | — | |
| SCHEMBL7060442 | 0.74 | — | — | |
| Acetonitrile SCHEMBL27766658 | 0.74 | CA2 (0.43) | — | |
| SCHEMBL5712311 | 0.74 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |