⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17229775 | 0.77 | CYP2C19 (0.30) | — | |
| SCHEMBL17229745 | 0.65 | HCAR2 (0.46) | — | |
| SCHEMBL17229783 | 0.65 | CYP2C19 (0.31) | — | |
| SCHEMBL19831867 | 0.63 | — | — | |
| SCHEMBL17229743 | 0.62 | HCAR2 (0.33) | — | |
| SCHEMBL19831866 | 0.61 | RBP4 (0.33) | — | |
| SCHEMBL19413391 | 0.61 | CYP2C19 (0.34) | — | |
| SCHEMBL17229741 | 0.60 | GAA (0.33) | — | |
| SCHEMBL20462838 | 0.59 | RBP4 (0.36) | — | |
| SCHEMBL18798896 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9938291-B2 | N-alkyl-2-phenoxyethanamines, their preparation and use | THE TRUSTESS OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-04-10 | — | — | US | disclosed |
| US-20180030060-A1 | SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-02-01 | — | — | US | disclosed |