⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3459005 | 0.76 | TDP1 (0.38) | — | |
| SCHEMBL457459 | 0.65 | TSHR (0.42) | — | |
| SCHEMBL455622 | 0.64 | ALDH1A1 (0.48) | — | |
| SCHEMBL457836 | 0.64 | TSHR (0.44) | — | |
| SCHEMBL1531250 | 0.63 | ALDH1A1 (0.38) | — | |
| SCHEMBL7709814 | 0.61 | GPR35 (0.38) | — | |
| SCHEMBL8922506 | 0.61 | CYP1A2 (0.39) | — | |
| SCHEMBL6283573 | 0.61 | — | — | |
| SCHEMBL4427648 | 0.61 | ALDH1A1 (0.71) | — | |
| SCHEMBL2490500 | 0.60 | TDP1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| US-4058529-A | Polycyclic amino derivatives of pyrrolidone and piperidone | CIBA-GEIGY CORPORATION (US) | 1977-11-15 | — | — | US | disclosed |