⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1304 | 0.61 | — | — | |
| SCHEMBL4482251 | 0.61 | — | — | |
| SCHEMBL152078 | 0.61 | — | — | |
| SCHEMBL152475 | 0.57 | — | — | |
| SCHEMBL102758 | 0.56 | — | — | |
| SCHEMBL27591446 | 0.56 | — | — | |
| SCHEMBL11423511 | 0.54 | — | — | |
| Bromide SCHEMBL4857919 | 0.53 | — | — | |
| SCHEMBL29281298 | 0.53 | — | — | |
| Ethylene SCHEMBL11049125 | 0.50 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0673945-B1 | Preparation of an ester salt of wittig | HOFFMANN LA ROCHE (CH) | 2000-09-06 | — | — | EP | disclosed |
| EP-0673945-A1 | Preparation of an ester salt of wittig | F. HOFFMANN-LA ROCHE AG (CH) | 1995-09-27 | — | — | EP | disclosed |
| WO-1990011276-A1 | NOVEL PROCESS FOR PRODUCING OPTICALLY ACTIVE BICYCLO [3.3.0] -OCTANE DERIVATIVES | SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) | 1990-10-04 | — | — | WO | disclosed |