⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6757101 | 0.62 | — | — | |
| SCHEMBL263362 | 0.62 | — | — | |
| SCHEMBL2044148 | 0.62 | — | — | |
| SCHEMBL5732700 | 0.62 | — | — | |
| SCHEMBL1336146 | 0.62 | — | — | |
| SCHEMBL3145175 | 0.62 | — | — | |
| SCHEMBL9296811 | 0.60 | — | — | |
| SCHEMBL2043707 | 0.59 | — | — | |
| SCHEMBL14896214 | 0.59 | — | — | |
| SCHEMBL336278 | 0.58 | — | — |
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-10954219-B2 | 1,3-benzodioxole derivative | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2021-03-23 | — | — | US | disclosed |
| US-20180282313-A1 | 1,3-BENZODIOXOLE DERIVATIVE | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2018-10-04 | — | — | US | disclosed |
| US-10017500-B2 | 1,3-benzodioxole derivative | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2018-07-10 | — | — | US | disclosed |
| US-20170073335-A1 | 1,3-BENZODIOXOLE DERIVATIVE | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2017-03-16 | — | — | US | disclosed |
| EP-3121175-A1 | 1,3-BENZODIOXOLE DERIVATIVE | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2017-01-25 | — | — | EP | disclosed |
| US-20110183974-A1 | 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS | INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) | 2011-07-28 | — | — | US | disclosed |
| EP-2318400-A1 | 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS | Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) | 2011-05-11 | — | — | EP | disclosed |
| WO-2010013037-A1 | 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2010-02-04 | — | — | WO | disclosed |