⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13447808 | 0.73 | TRPA1 (0.32) | — | |
| SCHEMBL15657621 | 0.70 | SLC6A2 (0.31) | — | |
| SCHEMBL28045530 | 0.69 | — | — | |
| SCHEMBL27851263 | 0.68 | TRPA1 (0.32) | — | |
| SCHEMBL4536468 | 0.68 | — | — | |
| SCHEMBL11056810 | 0.65 | DPP4 (0.31) | — | |
| SCHEMBL11056807 | 0.65 | DPP4 (0.31) | — | |
| SCHEMBL21203127 | 0.64 | IDO1 (0.31) | — | |
| SCHEMBL27832981 | 0.64 | — | — | |
| SCHEMBL13593790 | 0.63 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1984003283-A1 | PROCESS FOR THE PRODUCTION OF TRANS-1,2-(DIHALOPHOSPHINO)CYCLOALKANES | BRITISH PETROLEUM CO PLC (GB) | 1984-08-30 | — | — | WO | claimed |
| EP-0117156-A1 | Process for the production of trans-1,2-(dihalophosphino) cycloalkanes | The British Petroleum Company p.l.c. (GB) | 1984-08-29 | — | — | EP | claimed |
| WO-1984003283-A1 | PROCESS FOR THE PRODUCTION OF TRANS-1,2-(DIHALOPHOSPHINO)CYCLOALKANES | BRITISH PETROLEUM CO PLC (GB) | 1984-08-30 | — | — | WO | disclosed |
| EP-0117156-A1 | Process for the production of trans-1,2-(dihalophosphino) cycloalkanes | The British Petroleum Company p.l.c. (GB) | 1984-08-29 | — | — | EP | disclosed |