⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4451624 | 0.82 | TRPA1 (0.31) | — | |
| SCHEMBL16208246 | 0.74 | — | — | |
| SCHEMBL7856730 | 0.71 | TSHR (0.43) | — | |
| SCHEMBL29068785 | 0.69 | TRPA1 (0.33) | — | |
| SCHEMBL10708005 | 0.68 | CES2 (0.33) | — | |
| SCHEMBL21591813 | 0.68 | CES2 (0.31) | — | |
| SCHEMBL623392 | 0.68 | CES2 (0.31) | — | |
| SCHEMBL1782001 | 0.65 | — | — | |
| SCHEMBL4468016 | 0.65 | — | — | |
| SCHEMBL8208467 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116600642-A | Sterile, skin-tolerant, care and moisturizing formulation for application to skin | 图里切姆有限公司 | 2023-08-15 | — | — | CN | disclosed |
| US-20080294078-A1 | Manual Device, Method and their Use for the Stimulation of Body regions via the Skin, in particular of the Female Breast | LEURS AUGUSTE | 2008-11-27 | — | — | US | disclosed |
| US-4760050-A | Comprising fragrance materials | NAARDEN INTL. N.V. (NL) | 1988-07-26 | — | — | US | disclosed |
| EP-0231556-A1 | Isopropyl-methyl-butenoyl-cyclohexenes and -cyclohexenes and -cyclohexadienes, and also perfume compositions and perfumed articles and materials which contain said compounds as a perfume ingredient | NAARDEN INTERNATIONAL N.V. (NL) | 1987-08-12 | — | — | EP | disclosed |