⚠ 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 | |
|---|---|---|---|---|
| Cyclopentene SCHEMBL23217914 | 0.88 | — | — | |
| Cyclohexene SCHEMBL9292693 | 0.88 | — | — | |
| SCHEMBL5163917 | 0.86 | — | — | |
| Cyclooctene SCHEMBL21712675 | 0.86 | — | — | |
| Cyclooctene SCHEMBL27707035 | 0.86 | — | — | |
| SCHEMBL2138928 | 0.81 | — | — | |
| Cyclooctene SCHEMBL27678707 | 0.79 | — | — | |
| SCHEMBL10945458 | 0.78 | — | — | |
| SCHEMBL28613491 | 0.76 | — | — | |
| SCHEMBL7774044 | 0.74 | — | — |
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-4699963-A | USING TUNGSTEN CONTAINING CATALYST ALDEHYDE, KETONE, OR ESTER, AND PHENOL COMPOUND | HERCULES INCORPORATED (US) | 1987-10-13 | — | — | US | disclosed |