⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29133633 | 0.83 | TSHR (0.31) | — | |
| SCHEMBL3366223 | 0.79 | CHEK1 (0.38) | — | |
| SCHEMBL26586653 | 0.79 | — | — | |
| SCHEMBL136444 | 0.76 | CHEK1 (0.40) | — | |
| SCHEMBL17376656 | 0.76 | TYR (0.39) | — | |
| SCHEMBL30087221 | 0.76 | CYP2A6 (0.32) | — | |
| SCHEMBL2556376 | 0.76 | CYP2A6 (0.32) | — | |
| SCHEMBL12097459 | 0.74 | CCR5 (0.31) | — | |
| SCHEMBL9939277 | 0.74 | CYP2A6 (0.44) | — | |
| SCHEMBL31088263 | 0.74 | SMN1; SMN2 (0.40) | — |
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-2257524-A1 | N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS | Amira Pharmaceuticals, Inc. (US) | 2010-12-08 | — | — | EP | disclosed |
| WO-2009099902-A1 | N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS | AMIRA PHARMACEUTICALS, INC. (US) | 2009-08-13 | — | — | WO | disclosed |