⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6780033 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL8060008 | 0.77 | — | — | |
| SCHEMBL13608966 | 0.75 | CYP3A4 (0.36) | — | |
| SCHEMBL28462017 | 0.73 | LPAR2 (0.30) | — | |
| SCHEMBL16350171 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL10430840 | 0.72 | — | — | |
| SCHEMBL12038312 | 0.70 | CYP3A4 (0.34) | — | |
| SCHEMBL8060006 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL1691784 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL5337069 | 0.70 | ALDH1A1 (0.31) | — |
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-0649459-A1 | LUBRICANT COMPOSITION CONTAINING MIXED FRICTION MODIFIERS | EXXON CHEMICAL PATENTS INC. (US) | 1995-04-26 | — | — | EP | disclosed |
| WO-1993021288-A1 | LUBRICANT COMPOSITION CONTAINING MIXED FRICTION MODIFIERS | EXXON CHEMICAL PATENTS INC. (US) | 1993-10-28 | — | — | WO | disclosed |