⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9723459 | 0.93 | GRIN2D (0.39) | — | |
| SCHEMBL9723571 | 0.79 | HSP90AA1 (0.40) | — | |
| Diethylamine SCHEMBL9723512 | 0.79 | HSP90AA1 (0.36) | — | |
| SCHEMBL9723422 | 0.72 | LMNA (0.45) | — | |
| SCHEMBL9723469 | 0.71 | LMNA (0.40) | — | |
| SCHEMBL9723545 | 0.67 | NPSR1 (0.47) | — | |
| SCHEMBL9723522 | 0.67 | KMT2A (0.49) | — | |
| SCHEMBL9723449 | 0.65 | KMT2A (0.43) | — | |
| Diphenylamine SCHEMBL9723489 | 0.64 | NPSR1 (0.40) | — | |
| SCHEMBL8984920 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5153223-A | Anticholesterol agents | WARNER-LAMBERT COMPANY (US) | 1992-10-06 | — | — | US | disclosed |