⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18869542 | 0.83 | — | — | |
| SCHEMBL8519296 | 0.77 | — | — | |
| SCHEMBL6902592 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL29893919 | 0.74 | TSHR (0.40) | — | |
| SCHEMBL5595704 | 0.73 | TSHR (0.36) | — | |
| SCHEMBL4611728 | 0.72 | — | — | |
| SCHEMBL18869585 | 0.70 | — | — | |
| SCHEMBL10552922 | 0.70 | TSHR (0.41) | — | |
| SCHEMBL28305799 | 0.70 | TSHR (0.41) | — | |
| SCHEMBL598335 | 0.69 | TSHR (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 1 patent. 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 |