⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18798896 | 0.82 | — | — | |
| SCHEMBL19413391 | 0.81 | CYP2C19 (0.34) | — | |
| SCHEMBL20033657 | 0.75 | BRS3 (0.33) | — | |
| SCHEMBL21385784 | 0.70 | — | — | |
| SCHEMBL17229735 | 0.69 | CYP2C19 (0.38) | — | |
| SCHEMBL17229730 | 0.68 | CYP2C19 (0.57) | — | |
| SCHEMBL22474014 | 0.66 | CYP2C19 (0.32) | — | |
| SCHEMBL20695509 | 0.66 | — | — | |
| SCHEMBL17229696 | 0.64 | BRS3 (0.41) | — | |
| SCHEMBL18798832 | 0.63 | RBP4 (0.30) | — |
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-10570148-B2 | N-alkyl-2-phenoxyethanamines, their preparation and use | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2020-02-25 | — | — | US | disclosed |
| US-20180222919-A1 | N-ALKYL-2-PHENOXYETHANAMINES, THEIR PREPARATION AND USE | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-08-09 | — | — | US | disclosed |