⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7026203 | 0.90 | NLRP3 (0.31) | — | |
| SCHEMBL7021932 | 0.89 | NLRP3 (0.31) | — | |
| SCHEMBL5708357 | 0.68 | MEN1 (0.32) | — | |
| SCHEMBL7776586 | 0.64 | — | — | |
| SCHEMBL11174692 | 0.64 | MEN1 (0.34) | — | |
| SCHEMBL7771819 | 0.63 | POLB (0.32) | — | |
| SCHEMBL7023907 | 0.62 | FAAH (0.31) | — | |
| SCHEMBL7023906 | 0.62 | FAAH (0.31) | — | |
| SCHEMBL7771790 | 0.62 | — | — | |
| SCHEMBL7023693 | 0.61 | FAAH (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6184419-B1 | HAVING A GREEN-GALBANUM, FRESH (METALLIC, UNDECATRIENE TYPE) AND FRUITY-PINEAPPLE AND/OR FRUITY-CASSIS ODOR; AN INTENSE AND LONG LASTING ODOR; PERFUMES; HOUSEHOLD AND LAUNDRY PRODUCTS; COSMETICS | GIVAUDAN ROURE (INTERNATIONAL) SA (CH) | 2001-02-06 | — | — | US | disclosed |