⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21607798 | 0.77 | HCAR2 (0.31) | — | |
| SCHEMBL19659160 | 0.77 | — | — | |
| SCHEMBL923987 | 0.77 | — | — | |
| SCHEMBL18366461 | 0.77 | — | — | |
| SCHEMBL28309837 | 0.74 | — | — | |
| SCHEMBL4677911 | 0.72 | ALPL (0.51) | — | |
| SCHEMBL28232939 | 0.72 | — | — | |
| SCHEMBL28200840 | 0.72 | FABP4 (0.31) | — | |
| SCHEMBL27602558 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL28066443 | 0.71 | GALR3 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107001259-A | Substituted azetidine derivatives as TAAR ligands | 豪夫迈·罗氏有限公司 | 2017-08-01 | — | — | CN | claimed |
| CN-109988150-A | N- alkyl-N- cyanoalkyl benzamide compound and its application | 江苏中旗科技股份有限公司 | 2019-07-09 | — | — | CN | disclosed |
| CN-107001259-A | Substituted azetidine derivatives as TAAR ligands | 豪夫迈·罗氏有限公司 | 2017-08-01 | — | — | CN | disclosed |