⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6973310 | 0.76 | TSHR (0.30) | — | |
| SCHEMBL6971614 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL10632823 | 0.64 | TSHR (0.37) | — | |
| SCHEMBL6971994 | 0.64 | — | — | |
| SCHEMBL298986 | 0.63 | — | — | |
| SCHEMBL4288455 | 0.61 | — | — | |
| SCHEMBL1823277 | 0.61 | — | — | |
| SCHEMBL15689551 | 0.61 | — | — | |
| Acetone SCHEMBL28124568 | 0.60 | TSHR (0.47) | — | |
| SCHEMBL28092591 | 0.60 | TSHR (0.64) | — |
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-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |