⚠ 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 | |
|---|---|---|---|---|
| Propane SCHEMBL28207461 | 0.97 | TSHR (0.46) | — | |
| Alcohol SCHEMBL28507915 | 0.92 | — | — | |
| SCHEMBL15004 | 0.91 | — | — | |
| SCHEMBL4354008 | 0.91 | TSHR (0.50) | — | |
| Sulfuric Acid SCHEMBL16268484 | 0.91 | ZDHHC20 (0.44) | — | |
| SCHEMBL28219056 | 0.90 | TSHR (0.44) | — | |
| Ethylamine SCHEMBL27497438 | 0.90 | — | — | |
| Methyl Alcohol SCHEMBL28509086 | 0.88 | — | — | |
| SCHEMBL30637266 | 0.88 | — | — | |
| Dimethylamine SCHEMBL543057 | 0.88 | — | — |
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-108873139-A | Band adhesive phase polarizing film and image display device | 日东电工株式会社 | 2018-11-23 | — | — | CN | disclosed |
| CN-108307633-A | Acid Destabilization of Elastomeric Roof Coatings | 罗门哈斯公司 | 2018-07-20 | — | — | CN | disclosed |
| EP-1987860-A2 | Cosmetic water-soluble film | L'OREAL (FR) | 2008-11-05 | — | — | EP | disclosed |
| EP-1891932-A2 | Composition associating a C-glycoside derivative and an emulsifying polymer | L'OREAL (FR) | 2008-02-27 | — | — | EP | disclosed |