⚠ 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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL28032140 | 0.89 | — | — | |
| Ethylamine SCHEMBL15052268 | 0.81 | CYP3A4 (0.41) | — | |
| SCHEMBL30834716 | 0.79 | TRPA1 (0.52) | — | |
| SCHEMBL218508 | 0.79 | TRPA1 (0.52) | — | |
| SCHEMBL27982175 | 0.78 | CD274 (0.37) | — | |
| SCHEMBL9701669 | 0.76 | TSHR (0.45) | — | |
| SCHEMBL29113726 | 0.76 | ALDH1A1 (0.50) | — | |
| SCHEMBL27859301 | 0.76 | CD274 (0.38) | — | |
| SCHEMBL22434026 | 0.76 | ALDH1A1 (0.68) | — | |
| Ammonia Solution, Strong SCHEMBL15862222 | 0.76 | TRPA1 (0.50) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3313839-A1 | TYROSINE KINASE INHIBITORS | Principia Biopharma Inc. (US) | 2018-05-02 | — | — | EP | disclosed |
| WO-2016210165-A1 | TYROSINE KINASE INHIBITORS | PRINCIPIA BIOPHARMA INC. (US) | 2016-12-29 | — | — | WO | disclosed |
| EP-1992618-B1 | POLYCYCLIC CINNAMIDE DERIVATIVE | EISAI R&D MAN CO LTD (JP) | 2012-01-18 | — | — | EP | disclosed |
| CN-1144801-A | Beta-Adrenergic agonists | PFIZER (US) | 1997-03-12 | — | — | CN | disclosed |