⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20406344 | 0.82 | ALDH1A1 (0.34) | — | |
| SCHEMBL20406568 | 0.76 | DRD1 (0.38) | — | |
| SCHEMBL20406170 | 0.75 | PDE10A (0.39) | — | |
| SCHEMBL18661513 | 0.73 | PDE10A (0.42) | — | |
| SCHEMBL20406785 | 0.70 | DRD1 (0.38) | — | |
| SCHEMBL18661516 | 0.70 | PDE10A (0.45) | — | |
| SCHEMBL20394241 | 0.69 | DRD1 (0.37) | — | |
| SCHEMBL20394221 | 0.69 | FEN1 (0.39) | — | |
| SCHEMBL20394327 | 0.69 | CYP17A1 (0.38) | — | |
| SCHEMBL20394326 | 0.69 | SCN9A (0.37) | — |
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-10647675-B2 | Biaryl derivative and medicine containing same | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 2020-05-12 | — | — | US | disclosed |
| US-20190055199-A1 | BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 2019-02-21 | — | — | US | disclosed |
| EP-3351533-A1 | BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME | Kaken Pharmaceutical Co., Ltd. (JP) | 2018-07-25 | — | — | EP | disclosed |