⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17913572 | 0.82 | — | — | |
| SCHEMBL17732230 | 0.78 | — | — | |
| SCHEMBL17732231 | 0.78 | — | — | |
| SCHEMBL10149615 | 0.78 | TDP1 (0.31) | — | |
| SCHEMBL6796086 | 0.78 | AKR1C4 (0.31) | — | |
| SCHEMBL17741246 | 0.78 | AKR1C4 (0.31) | — | |
| SCHEMBL845596 | 0.75 | — | — | |
| SCHEMBL37625 | 0.75 | — | — | |
| SCHEMBL3194607 | 0.75 | — | — | |
| SCHEMBL10726506 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1607934-A | Resin composition for cosmetic and cosmetic | MITSUBISHI CHEM CORP (JP) | 2005-04-20 | — | — | CN | disclosed |
| EP-1055722-B1 | OIL COMPOSITION FOR NON-STAGE TRANSMISSION | JAPAN ENERGY CORP (JP) | 2004-03-24 | — | — | EP | disclosed |
| EP-1055722-A1 | OIL COMPOSITION FOR NON-STAGE TRANSMISSION | Japan Energy Corporation (JP) | 2000-11-29 | — | — | EP | disclosed |