⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12324920 | 0.80 | LMNA (0.32) | — | |
| SCHEMBL2423955 | 0.80 | LMNA (0.32) | — | |
| SCHEMBL2424101 | 0.79 | USP2 (0.31) | — | |
| SCHEMBL2424054 | 0.79 | USP2 (0.31) | — | |
| SCHEMBL5608416 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL11523697 | 0.74 | MEN1 (0.33) | — | |
| SCHEMBL11523689 | 0.74 | CCR2 (0.32) | — | |
| SCHEMBL5986730 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL5608409 | 0.72 | — | — | |
| SCHEMBL2426198 | 0.71 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003022784-A9 | METHOD FOR DETERMINING THE ENANTIOMER RATIO TRIMETHYLCYCLOPENTENE DERIVATIVES | KAO CORP (JP) | 2004-10-21 | — | — | WO | disclosed |