⚠ 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 | |
|---|---|---|---|---|
| Cyclohexanone SCHEMBL11765131 | 0.90 | ALDH1A1 (0.73) | — | |
| Cyclohexanone SCHEMBL28277967 | 0.89 | — | — | |
| Cycloheptanone SCHEMBL9791393 | 0.89 | TRIM24 (1.00) | — | |
| SCHEMBL2196696 | 0.89 | TRIM24 (1.00) | — | |
| SCHEMBL6067572 | 0.89 | TRIM24 (1.00) | — | |
| SCHEMBL25380098 | 0.89 | TRIM24 (1.00) | — | |
| Cyclohexanone SCHEMBL8912386 | 0.89 | TRIM24 (1.00) | — | |
| SCHEMBL9351611 | 0.89 | TRIM24 (1.00) | — | |
| Cyclooctanone SCHEMBL181981 | 0.89 | — | — | |
| Cyclohexanone SCHEMBL1332370 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1368499-A2 | RAT TOXICOLOGICALLY RELEVANT GENES AND USES THEREOF | Phase-1 Molecular Toxicology Inc. (US) | 2003-12-10 | — | — | EP | claimed |
| WO-2002066682-A2 | RAT TOXICOLOGICALLY RELEVANT GENES AND USES THEREOF | PHASE-1 MOLECULAR TOXICOLOGY, INC. (US) | 2002-08-29 | — | — | WO | claimed |