⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8183572 | 0.95 | — | — | |
| SCHEMBL11109022 | 0.85 | GNAI3 (0.38) | — | |
| SCHEMBL3799903 | 0.82 | MITF (0.34) | — | |
| SCHEMBL7898873 | 0.81 | — | — | |
| SCHEMBL564601 | 0.81 | — | — | |
| SCHEMBL6135806 | 0.78 | — | — | |
| SCHEMBL7758487 | 0.75 | KDM4E (0.31) | — | |
| Acrylic Acid SCHEMBL11681235 | 0.75 | — | — | |
| SCHEMBL4614439 | 0.74 | — | — | |
| SCHEMBL9362516 | 0.72 | HSD17B10 (0.37) | — |
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-1100442-A1 | HAIR CARE PRODUCT PROVIDING SHINE | THE PROCTER & GAMBLE COMPANY (US) | 2001-05-23 | — | — | EP | disclosed |
| WO-2000006107-A1 | HAIR CARE PRODUCT PROVIDING SHINE | THE PROCTER & GAMBLE COMPANY (US) | 2000-02-10 | — | — | WO | disclosed |