⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17536023 | 0.81 | LMNA (0.31) | — | |
| SCHEMBL12037055 | 0.76 | L3MBTL1 (0.35) | — | |
| SCHEMBL17535541 | 0.75 | S1PR4 (0.32) | — | |
| SCHEMBL17535582 | 0.67 | PDE10A (0.30) | — | |
| SCHEMBL17535949 | 0.65 | TSHR (0.34) | — | |
| SCHEMBL12036723 | 0.65 | BPTF (0.33) | — | |
| SCHEMBL12036810 | 0.64 | NOS3 (0.36) | — | |
| SCHEMBL17535464 | 0.61 | LMNA (0.33) | — | |
| SCHEMBL17535634 | 0.60 | AOC3 (0.41) | — | |
| SCHEMBL17535527 | 0.59 | PDE10A (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2970331-B1 | SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS | TAKEDA PHARMACEUTICALS CO (JP) | 2017-05-17 | — | — | EP | disclosed |
| US-9605000-B2 | Spiro azetidine isoxazole derivatives and their use as SSTR antagonists | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-03-28 | — | — | US | disclosed |
| US-20160060273-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-03-03 | — | — | US | disclosed |