⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25487122 | 0.78 | CYP2C19 (0.32) | — | |
| SCHEMBL11912902 | 0.75 | EPHX1 (0.38) | — | |
| SCHEMBL25487135 | 0.75 | CYP2C19 (0.30) | — | |
| SCHEMBL18632488 | 0.73 | POLB (0.34) | — | |
| SCHEMBL1108447 | 0.71 | EPHX1 (0.42) | — | |
| SCHEMBL3305213 | 0.71 | CYP2C19 (0.30) | — | |
| Methane SCHEMBL9788186 | 0.70 | EPHX1 (0.41) | — | |
| SCHEMBL8327277 | 0.68 | EPHX1 (0.34) | — | |
| SCHEMBL18589278 | 0.67 | KCNA4 (0.34) | — | |
| SCHEMBL9788202 | 0.67 | KCNA4 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4985582-A | CHEMICAL INTERMEDIATES FOR BICYCLIC RING COMPOUNDS HAVING MULTIPLE SULFUR ATOMS IN THE RING SYSTEM | THE WELLCOME FOUNDATION LTD. (GB) | 1991-01-15 | — | — | US | disclosed |
| EP-0216625-A2 | Pesticidal compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1987-04-01 | — | — | EP | disclosed |