⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27988980 | 0.82 | — | — | |
| SCHEMBL14699330 | 0.82 | — | — | |
| SCHEMBL15653426 | 0.77 | — | — | |
| SCHEMBL28199249 | 0.77 | F2 (0.55) | — | |
| SCHEMBL31466170 | 0.76 | — | — | |
| SCHEMBL1682592 | 0.76 | — | — | |
| SCHEMBL2660301 | 0.75 | MEN1 (0.51) | — | |
| SCHEMBL10719754 | 0.74 | CCNC (0.35) | — | |
| SCHEMBL11721613 | 0.72 | IKBKE (0.38) | — | |
| SCHEMBL28309838 | 0.72 | CCNC (0.34) | — |
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 |