⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24042952 | 0.86 | NSD2 (0.36) | — | |
| SCHEMBL10128321 | 0.82 | ALOX5 (0.39) | — | |
| SCHEMBL24439477 | 0.81 | MEN1 (0.34) | — | |
| SCHEMBL25692128 | 0.78 | ALOX5 (0.42) | — | |
| SCHEMBL24723353 | 0.78 | CHRM1 (0.34) | — | |
| SCHEMBL12169672 | 0.77 | ALOX5 (0.44) | — | |
| SCHEMBL11117662 | 0.77 | CHRNB2 (0.36) | — | |
| SCHEMBL25687111 | 0.74 | APLNR (0.38) | — | |
| SCHEMBL20794085 | 0.73 | PTGIR (0.38) | — | |
| SCHEMBL13439473 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023109878-A1 | TRIAZASPIRO LPAR1 ANTAGONIST AND USE THEREOF | 武汉人福创新药物研发中心有限公司 | 2023-06-22 | — | — | WO | disclosed |