⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9569520 | 0.76 | ATM (0.30) | — | |
| SCHEMBL15015940 | 0.73 | TRPA1 (0.31) | — | |
| SCHEMBL708401 | 0.71 | TRPA1 (0.32) | — | |
| SCHEMBL7848050 | 0.69 | MAPK1 (0.31) | — | |
| SCHEMBL7344623 | 0.69 | ATM (0.37) | — | |
| SCHEMBL9569523 | 0.69 | — | — | |
| SCHEMBL9802325 | 0.69 | ATM (0.37) | — | |
| SCHEMBL4120625 | 0.69 | LMNA (0.34) | — | |
| SCHEMBL187155 | 0.69 | — | — | |
| SCHEMBL304399 | 0.69 | TYR (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5965553-A | Squalene synthetase inhibitors | PFIZER INC. (US) | 1999-10-12 | — | — | US | disclosed |
| EP-0814080-A1 | Squalene synthetase inhibitors | PFIZER INC. (US) | 1997-12-29 | — | — | EP | disclosed |