⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17434048 | 0.77 | THRB (0.38) | — | |
| SCHEMBL17433940 | 0.75 | ERN1 (0.39) | — | |
| SCHEMBL10325437 | 0.73 | CES2 (0.37) | — | |
| SCHEMBL17433876 | 0.72 | APLNR (0.31) | — | |
| SCHEMBL17434336 | 0.72 | PRKCE (0.35) | — | |
| SCHEMBL31582579 | 0.72 | THRB (0.38) | — | |
| SCHEMBL23111998 | 0.70 | CAPN1 (0.38) | — | |
| SCHEMBL17471650 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL29630519 | 0.68 | CYP3A4 (0.39) | — | |
| SCHEMBL24317525 | 0.67 | CYP11B1 (0.38) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9464076-B2 | Benzothiophene derivative | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2016-10-11 | — | — | US | disclosed |
| US-9464076-B2 | Benzothiophene derivative | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2016-10-11 | — | — | US | disclosed |
| US-9464076-B2 | Benzothiophene derivative | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2016-10-11 | — | — | US | disclosed |
| US-20160024060-A1 | BENZOTHIOPHENE DERIVATIVE | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2016-01-28 | — | — | US | disclosed |
| US-20160024060-A1 | BENZOTHIOPHENE DERIVATIVE | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2016-01-28 | — | — | US | disclosed |
| US-20160024060-A1 | BENZOTHIOPHENE DERIVATIVE | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2016-01-28 | — | — | US | disclosed |
| EP-2975037-A1 | BENZOTHIOPHENE DERIVATIVE | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2016-01-20 | — | — | EP | disclosed |
| EP-2975037-A1 | BENZOTHIOPHENE DERIVATIVE | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2016-01-20 | — | — | EP | disclosed |