⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6950234 | 0.79 | NR3C2 (0.39) | — | |
| SCHEMBL183361 | 0.74 | MAPK10 (0.31) | — | |
| SCHEMBL486251 | 0.72 | MEN1 (0.38) | — | |
| SCHEMBL5478680 | 0.71 | — | — | |
| SCHEMBL5487767 | 0.71 | — | — | |
| SCHEMBL4489489 | 0.71 | NLRP3 (0.31) | — | |
| SCHEMBL145150 | 0.70 | CYP2A6 (0.33) | — | |
| SCHEMBL1355880 | 0.69 | ESR1 (0.36) | — | |
| SCHEMBL1176871 | 0.68 | ESR1 (0.41) | — | |
| SCHEMBL28816158 | 0.68 | APLNR (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1073624-A1 | AMINOMETHYL-BENZOIC ESTER DERIVATIVES AS TRYPTASE INHIBITORS | Proteus Molecular Design Limited (GB) | 2001-02-07 | — | — | EP | disclosed |
| WO-1999055661-A1 | AMINOMETHYL-BENZOIC ESTER DERIVATIVES AS TRYPTASE INHIBITORS | PROTEUS MOLECULAR DESIGN LIMITED (GB) | 1999-11-04 | — | — | WO | disclosed |