⚠ 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 | |
|---|---|---|---|---|
| Cyclohexane SCHEMBL3255687 | 0.84 | ALDH1A1 (0.35) | — | |
| Cyclohexane SCHEMBL9716720 | 0.84 | ALDH1A1 (0.35) | — | |
| Cyclohexane SCHEMBL28930133 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL28444 | 0.74 | — | — | |
| Water SCHEMBL28134902 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL8329103 | 0.71 | TSHR (0.31) | — | |
| Cyclopropane SCHEMBL5611392 | 0.70 | NAAA (0.33) | — | |
| Tetrahydrothiophene SCHEMBL27714217 | 0.70 | — | — | |
| Cyclohexane SCHEMBL28240622 | 0.70 | NAAA (0.33) | — | |
| Biphenyl SCHEMBL17459186 | 0.70 | ALDH1A1 (0.42) | — |
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-108587484-A | A kind of optical film adhesive for being bonded entirely and its preparation method and application and based on its optical film | 广州慧谷工程材料有限公司 | 2018-09-28 | — | — | CN | claimed |
| CN-108587484-A | A kind of optical film adhesive for being bonded entirely and its preparation method and application and based on its optical film | 广州慧谷工程材料有限公司 | 2018-09-28 | — | — | CN | disclosed |
| CN-108034350-A | Spary coating type damping material | 青岛沙木新材料有限公司 | 2018-05-15 | — | — | CN | disclosed |
| CN-106221546-A | As the aqueous polyurethane dispersing liquid of the multiple self-crosslinking of coating, preparation method and its usage | 上海倍力新材料有限公司 | 2016-12-14 | — | — | CN | disclosed |