⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1001635 | 0.71 | — | — | |
| SCHEMBL5282757 | 0.71 | CHRM2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL9871778 | 0.70 | — | — | |
| SCHEMBL20725797 | 0.67 | — | — | |
| SCHEMBL12162503 | 0.64 | ALDH1A1 (0.38) | — | |
| SCHEMBL22725306 | 0.64 | ALDH1A1 (0.38) | — | |
| SCHEMBL13711854 | 0.64 | ALDH1A1 (0.38) | — | |
| SCHEMBL15314574 | 0.63 | ALDH1A1 (0.41) | — | |
| SCHEMBL24859495 | 0.60 | KMT2A (0.36) | — | |
| SCHEMBL16077354 | 0.60 | ALDH1A1 (0.35) | — |
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-0871613-A1 | BENZYL PIPERIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 1998-10-21 | — | — | EP | disclosed |
| US-5753679-A | SCIZOPHRENIA | HOFFMANN-LA ROCHE INC. (US) | 1998-05-19 | — | — | US | disclosed |
| WO-1996035666-A1 | BENZYL PIPERIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS | F.HOFFMANN-LA ROCHE AG (CH) | 1996-11-14 | — | — | WO | disclosed |