⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8388236 | 0.71 | — | — | |
| SCHEMBL29490 | 0.71 | — | — | |
| SCHEMBL1766389 | 0.69 | — | — | |
| SCHEMBL9269603 | 0.69 | — | — | |
| SCHEMBL8604850 | 0.69 | — | — | |
| SCHEMBL19668007 | 0.69 | — | — | |
| SCHEMBL8180051 | 0.69 | — | — | |
| SCHEMBL13467345 | 0.69 | — | — | |
| SCHEMBL7033480 | 0.65 | — | — | |
| SCHEMBL8832059 | 0.65 | — | — |
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-6432685-B1 | OXIDATION OF TRIALKYLCYCLOHEXENE | BASF AKTIENGESELLSCHAFT (DE) | 2002-08-13 | — | — | US | disclosed |