⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16046449 | 0.88 | IDH1 (0.33) | — | |
| SCHEMBL28047384 | 0.88 | IDH1 (0.33) | — | |
| SCHEMBL15960144 | 0.88 | IDH1 (0.33) | — | |
| SCHEMBL30484066 | 0.83 | KDM1A (0.32) | — | |
| SCHEMBL20238259 | 0.82 | — | — | |
| SCHEMBL20238255 | 0.82 | — | — | |
| SCHEMBL20238258 | 0.82 | — | — | |
| SCHEMBL1644950 | 0.81 | CYP3A4 (0.31) | — | |
| SCHEMBL19177718 | 0.80 | IDH1 (0.30) | — | |
| SCHEMBL19191782 | 0.80 | IDH1 (0.30) | — |
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 |