⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8429938 | 0.72 | HRH3 (0.32) | — | |
| SCHEMBL8429930 | 0.71 | HRH3 (0.34) | — | |
| SCHEMBL4630210 | 0.64 | HRH3 (0.33) | — | |
| SCHEMBL4914244 | 0.63 | — | — | |
| SCHEMBL1081166 | 0.62 | ALDH1A1 (0.36) | — | |
| SCHEMBL3307533 | 0.62 | HRH3 (0.36) | — | |
| SCHEMBL3305755 | 0.61 | HRH3 (0.39) | — | |
| SCHEMBL22005614 | 0.61 | FAAH (0.33) | — | |
| SCHEMBL9167013 | 0.61 | GNAI3 (0.38) | — | |
| SCHEMBL18473635 | 0.61 | NAAA (0.38) | — |
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-5843983-A | Diphenylethane compounds containing a saturated heterocyclic group, their preparation, and their therapeutic use | SANKYO COMPANY, LIMITED (JP) | 1998-12-01 | — | — | US | disclosed |
| EP-0790235-A1 | Diaryl alkane derivatives containing an alicyclic group, their preparation and their therapeutic and prophylactic uses | SANKYO COMPANY LIMITED (JP) | 1997-08-20 | — | — | EP | disclosed |