⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17294092 | 0.76 | MAPT (0.32) | — | |
| SCHEMBL6233432 | 0.76 | MAPT (0.32) | — | |
| Acetic Acid SCHEMBL27640594 | 0.60 | FFAR3 (0.37) | — | |
| SCHEMBL1783065 | 0.57 | — | — | |
| SCHEMBL13216026 | 0.56 | POLB (0.60) | — | |
| SCHEMBL1783386 | 0.54 | MAPT (0.56) | — | |
| Acetic Acid SCHEMBL27640656 | 0.52 | FFAR3 (0.54) | — | |
| SCHEMBL10993697 | 0.52 | CYP2C19 (0.38) | — | |
| SCHEMBL10993694 | 0.52 | CYP2C19 (0.38) | — | |
| SCHEMBL23228052 | 0.50 | LMNA (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0545556-B1 | Perfume composition | QUEST INT (NL) | 1997-07-23 | — | — | EP | disclosed |
| US-5554588-A | IN WHICH AT LEAST HALF COMPRISES ETHERS, AROMATIC METHYL KETONES, ALCOHOLS, ESTERS AND SALICYLATES; DEODORANTS AND ACCEPTABLE FRAGRANCE | LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) | 1996-09-10 | — | — | US | disclosed |
| EP-0545556-A2 | Perfume composition | QUEST INTERNATIONAL NEDERLAND BV (NL) | 1993-06-09 | — | — | EP | disclosed |