⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1804736 | 0.75 | — | — | |
| SCHEMBL1682326 | 0.69 | — | — | |
| SCHEMBL10715037 | 0.69 | — | — | |
| SCHEMBL16569826 | 0.67 | — | — | |
| Dioxane SCHEMBL28100689 | 0.63 | TTR (0.60) | — | |
| SCHEMBL25268925 | 0.63 | CHRM2 (0.31) | — | |
| SCHEMBL8699912 | 0.63 | NOS3 (0.31) | — | |
| SCHEMBL62597 | 0.62 | — | — | |
| Trimethylammonium SCHEMBL23270971 | 0.58 | — | — | |
| Tetrahydrofuran SCHEMBL20549067 | 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 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 |