⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2143466 | 1.00 | — | — | |
| SCHEMBL9635 | 0.72 | — | — | |
| SCHEMBL3676210 | 0.72 | — | — | |
| Fluoride Ion SCHEMBL84273 | 0.69 | ALDH1A1 (0.35) | — | |
| Ammonia Solution, Strong SCHEMBL10454832 | 0.69 | — | — | |
| Fluoride Ion SCHEMBL11497474 | 0.69 | — | — | |
| SCHEMBL18577174 | 0.69 | — | — | |
| Allylamine SCHEMBL29212624 | 0.69 | ALDH1A1 (0.53) | — | |
| SCHEMBL3302971 | 0.67 | — | — | |
| SCHEMBL4801334 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8158650-B2 | Substituted phenylmethyl bicyclocarboxyamide compounds | PFIZER INC. (US) | 2012-04-17 | — | — | US | disclosed |
| EP-2222631-B1 | SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS | PFIZER (US) | 2011-08-17 | — | — | EP | disclosed |
| US-20100087480-A1 | SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS | PFIZER INC. | 2010-04-08 | — | — | US | disclosed |