⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29174558 | 0.78 | ALDH1A1 (0.47) | — | |
| SCHEMBL939616 | 0.78 | ALDH1A1 (0.47) | — | |
| SCHEMBL10606684 | 0.77 | — | — | |
| SCHEMBL585233 | 0.76 | — | — | |
| SCHEMBL8429889 | 0.76 | — | — | |
| SCHEMBL585234 | 0.76 | — | — | |
| SCHEMBL1692338 | 0.75 | — | — | |
| SCHEMBL1872323 | 0.75 | LPAR2 (0.38) | — | |
| SCHEMBL97285 | 0.75 | — | — | |
| SCHEMBL272927 | 0.75 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1146033-B1 | Fragrance precursors | GIVAUDAN SA (CH) | 2009-12-23 | — | — | EP | disclosed |
| US-6492563-B2 | PROVIDES NON-VOLATILE PRECURSORS FOR VOLATILE FRAGRANT ESTERS FOR USE IN DETERGENT, A FABRIC SOFTENER, A WINDOW CLEANER, A HARD SURFACE CLEANER, AN ALL PURPOSE CLEANER, A FURNITURE POLISH, A SHAMPOO, A CONDITIONER, AN HAIRSPRAY, A COSMETIC | GIVAUDAN SA (CH) | 2002-12-10 | — | — | US | disclosed |
| US-20020077508-A1 | Fragrance precursors | GIVAUDAN SA (CH) | 2002-06-20 | — | — | US | disclosed |
| EP-1146033-A2 | Fragrance precursors | Givaudan SA (CH) | 2001-10-17 | — | — | EP | disclosed |