⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1834181 | 0.79 | — | — | |
| SCHEMBL752924 | 0.69 | DRD2 (0.35) | — | |
| SCHEMBL845769 | 0.67 | CA1 (0.31) | — | |
| SCHEMBL18237834 | 0.65 | MEN1 (0.31) | — | |
| SCHEMBL5469056 | 0.64 | — | — | |
| SCHEMBL4986870 | 0.64 | HTR2C (0.41) | — | |
| SCHEMBL1827327 | 0.63 | PDK1 (0.30) | — | |
| SCHEMBL5465809 | 0.60 | CASP1 (0.30) | — | |
| SCHEMBL15309439 | 0.60 | ABHD6 (0.33) | — | |
| SCHEMBL14421619 | 0.59 | SIGMAR1 (0.50) | — |
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-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 |