⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22283312 | 0.82 | CYP3A4 (0.31) | — | |
| SCHEMBL417512 | 0.81 | CYP3A4 (0.30) | — | |
| SCHEMBL11795000 | 0.80 | MTNR1A (0.30) | — | |
| SCHEMBL20209401 | 0.74 | CYP1A2 (0.35) | — | |
| SCHEMBL30365719 | 0.71 | ADRA2A (0.36) | — | |
| SCHEMBL29352264 | 0.71 | ADRA2A (0.36) | — | |
| SCHEMBL50690 | 0.71 | ADRA2A (0.36) | — | |
| SCHEMBL10868983 | 0.71 | — | — | |
| SCHEMBL8674433 | 0.70 | CYP3A4 (0.31) | — | |
| Hydrochloric Acid SCHEMBL28386300 | 0.70 | ADRA2A (0.35) | — |
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-20140371316-A1 | DERIVATIVES OF PHENOXYISOBUTYRIC ACID | FABRICANT JILL S (US) | 2014-12-18 | — | — | US | disclosed |
| EP-2782902-A2 | DERIVATIVES OF PHENOXYISOBUTYRIC ACID | Fabricant, Jill, S. (US) | 2014-10-01 | — | — | EP | disclosed |
| WO-2013078446-A2 | DERIVATIVES OF PHENOXYISOBUTYRIC ACID | FABRICANT JILL S (US) | 2013-05-30 | — | — | WO | disclosed |