⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL789713 | 0.93 | HSD17B10 (0.47) | — | |
| SCHEMBL6907432 | 0.91 | HSD17B10 (0.50) | — | |
| SCHEMBL10529861 | 0.91 | HSD17B10 (0.50) | — | |
| Carbamic Acid SCHEMBL29232548 | 0.86 | EPHX1 (0.46) | — | |
| SCHEMBL4630334 | 0.83 | EPHX1 (0.39) | — | |
| SCHEMBL11488088 | 0.81 | — | — | |
| SCHEMBL11862243 | 0.79 | MEN1 (0.39) | — | |
| SCHEMBL4184057 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL946019 | 0.79 | — | — | |
| SCHEMBL11722997 | 0.77 | CES1 (0.38) | — |
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-1021434-A2 | PHARMACOLOGICALLY ACTIVE COMPOUNDS AND USE | Krenitsky Pharmaceuticals, Inc. (US) | 2000-07-26 | — | — | EP | disclosed |
| WO-1998012190-A2 | PHENOXATHIIN DERIVATIVES AS INHIBITORS OF MONOAMINE OXIDASE | KRENITSKY PHARMACEUTICAL, INC. (US) | 1998-03-26 | — | — | WO | disclosed |