⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9813367 | 0.79 | — | — | |
| SCHEMBL31296245 | 0.78 | THRB (0.50) | — | |
| SCHEMBL8850887 | 0.77 | — | — | |
| SCHEMBL4353190 | 0.77 | — | — | |
| SCHEMBL8736195 | 0.76 | TDP1 (0.40) | — | |
| SCHEMBL12187674 | 0.76 | — | — | |
| SCHEMBL4296979 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL9575345 | 0.76 | — | — | |
| SCHEMBL9659240 | 0.75 | CYP3A4 (0.34) | — | |
| Chloroform SCHEMBL17435220 | 0.74 | LMNA (0.45) | — |
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-0791015-A4 | CATIONIC POLYMER | PROCTER & GAMBLE (US) | 1998-08-26 | — | — | EP | disclosed |
| EP-0791015-A1 | CATIONIC POLYMER | THE PROCTER & GAMBLE COMPANY (US) | 1997-08-27 | — | — | EP | disclosed |
| WO-1996015154-A1 | CATIONIC POLYMER | THE PROCTER & GAMBLE COMPANY (US) | 1996-05-23 | — | — | WO | disclosed |