⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL303163 | 0.87 | HMGCR (0.37) | — | |
| SCHEMBL15901049 | 0.80 | HMGCR (0.52) | — | |
| SCHEMBL1897706 | 0.76 | — | — | |
| SCHEMBL38915 | 0.76 | — | — | |
| SCHEMBL38914 | 0.76 | — | — | |
| SCHEMBL2205890 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL16986444 | 0.73 | — | — | |
| SCHEMBL15641693 | 0.73 | — | — | |
| SCHEMBL1667015 | 0.73 | — | — | |
| SCHEMBL1556951 | 0.73 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1044966-B1 | (Poly)thia-alkyne compounds and their derivatives, compositions containing them and their use | OREAL (FR) | 2004-09-22 | — | — | EP | claimed |
| US-6511670-B1 | Compounds with shorter alkyl chains such as 3,8-dithia-5-docosynoic acid; treating acne and inflammation disorders; peroxisome proliferator activated receptor activators | SOCIETE L'OREAL S.A. (FR) | 2003-01-28 | — | — | US | claimed |
| EP-1044966-A1 | (Poly)thia-alkyne compounds and their derivatives, compositions containing them and their use | L'OREAL (FR) | 2000-10-18 | — | — | EP | claimed |
| CN-110632207-B | Method for identifying mold based on volatile gas components and evolution trend thereof | 南京财经大学 | 2022-04-29 | — | — | CN | disclosed |
| CN-110632207-A | Method for identifying mold based on volatile gas components and evolution trend thereof | 南京财经大学 | 2019-12-31 | — | — | CN | disclosed |
| EP-1044966-B1 | (Poly)thia-alkyne compounds and their derivatives, compositions containing them and their use | OREAL (FR) | 2004-09-22 | — | — | EP | disclosed |
| US-6511670-B1 | Compounds with shorter alkyl chains such as 3,8-dithia-5-docosynoic acid; treating acne and inflammation disorders; peroxisome proliferator activated receptor activators | SOCIETE L'OREAL S.A. (FR) | 2003-01-28 | — | — | US | disclosed |
| EP-1044966-A1 | (Poly)thia-alkyne compounds and their derivatives, compositions containing them and their use | L'OREAL (FR) | 2000-10-18 | — | — | EP | disclosed |