⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17323240 | 0.62 | TRPA1 (0.32) | — | |
| SCHEMBL31040002 | 0.60 | — | — | |
| SCHEMBL16704715 | 0.56 | — | — | |
| SCHEMBL826097 | 0.55 | — | — | |
| SCHEMBL17428915 | 0.54 | — | — | |
| SCHEMBL18795323 | 0.54 | — | — | |
| SCHEMBL14019969 | 0.54 | — | — | |
| SCHEMBL21829068 | 0.53 | — | — | |
| SCHEMBL14327682 | 0.53 | TRPA1 (0.31) | — | |
| SCHEMBL20981827 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6875764-B1 | Urea and thiourea compounds useful for treatment of coccidiosis | NEW PHARMA RESEARCH SWEDEN AB (SE) | 2005-04-05 | — | — | US | claimed |