⚠ 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 | |
|---|---|---|---|---|
| Allyl Alcohol SCHEMBL1123584 | 0.97 | — | — | |
| Propylene Glycol SCHEMBL27443040 | 0.87 | — | — | |
| Butanol SCHEMBL7149436 | 0.84 | TSHR (0.59) | — | |
| Allyl Alcohol SCHEMBL29239270 | 0.83 | — | — | |
| Allyl Alcohol SCHEMBL28659767 | 0.83 | TSHR (0.60) | — | |
| Allyl Alcohol SCHEMBL6889984 | 0.82 | TSHR (0.50) | — | |
| Allyl Alcohol SCHEMBL6881461 | 0.82 | TSHR (0.50) | — | |
| Allyl Alcohol SCHEMBL2866546 | 0.81 | — | — | |
| Allyl Alcohol SCHEMBL4652911 | 0.81 | — | — | |
| Allyl Alcohol SCHEMBL4940557 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105960441-A | Coating composition for forming coating film having impact resistance | 关西涂料株式会社 | 2016-09-21 | — | — | CN | disclosed |