⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2738310 | 0.73 | — | — | |
| SCHEMBL12722834 | 0.73 | — | — | |
| SCHEMBL464628 | 0.73 | — | — | |
| SCHEMBL8394029 | 0.67 | CYP1A2 (0.33) | — | |
| SCHEMBL659729 | 0.65 | — | — | |
| SCHEMBL805497 | 0.65 | KCNH2 (0.43) | — | |
| SCHEMBL22143980 | 0.65 | KCNH2 (0.43) | — | |
| SCHEMBL17424104 | 0.65 | KCNH2 (0.43) | — | |
| SCHEMBL23841349 | 0.63 | MAP3K14 (0.37) | — | |
| SCHEMBL24090497 | 0.61 | P2RX7 (0.43) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0253767-A1 | Parasiticide and insecticide | CIBA-GEIGY AG (CH) | 1988-01-20 | — | — | EP | claimed |
| EP-0253767-A1 | Parasiticide and insecticide | CIBA-GEIGY AG (CH) | 1988-01-20 | — | — | EP | disclosed |