⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23032888 | 1.00 | — | — | |
| SCHEMBL15031953 | 1.00 | — | — | |
| SCHEMBL2406618 | 0.84 | CA1 (0.54) | — | |
| SCHEMBL22618853 | 0.84 | — | — | |
| SCHEMBL328247 | 0.84 | — | — | |
| SCHEMBL12086964 | 0.84 | CA1 (0.54) | — | |
| SCHEMBL1231567 | 0.84 | CA1 (0.54) | — | |
| SCHEMBL20031691 | 0.84 | — | — | |
| SCHEMBL12262003 | 0.84 | — | — | |
| SCHEMBL17662580 | 0.84 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150259284-A1 | PROCESS FOR PREPARING AMINOCYCLOHEXYL ETHER COMPOUNDS | CARDIOME INTERNATIONAL SA (CH) | 2015-09-17 | — | — | US | disclosed |
| US-8932836-B2 | Biocatalysts and methods for the synthesis of (1R,2R)-2-(3,4-dimethoxyphenethoxy)cyclohexanamine | CODEXIS, INC. (US) | 2015-01-13 | — | — | US | disclosed |
| US-20130164794-A1 | BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF (1R,2R)-2-(3,4-DIMETHOXYPHENETHOXY)CYCLOHEXAMINE | CODEXIS, INC. (US) | 2013-06-27 | — | — | US | disclosed |