⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29849027 | 0.89 | — | — | |
| SCHEMBL30803775 | 0.88 | — | — | |
| SCHEMBL29460316 | 0.85 | ALDH1A1 (0.30) | — | |
| SCHEMBL284840 | 0.84 | TSHR (0.31) | — | |
| SCHEMBL30581215 | 0.81 | — | — | |
| SCHEMBL5981343 | 0.79 | — | — | |
| SCHEMBL29724145 | 0.77 | — | — | |
| Ethaneperoxoic Acid SCHEMBL11647523 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL15165 | 0.74 | TSHR (0.41) | — | |
| Methyl Alcohol SCHEMBL28449343 | 0.72 | TSHR (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113924282-B | Process for separating carboxylic acid from aqueous side stream | 诺力昂化学品国际有限公司 | 2023-09-12 | — | — | CN | disclosed |
| CN-110088388-B | Liquid composition comprising two initiators, method for polymerization thereof, use and material or composition obtained after polymerization of the composition | 阿肯马法国公司 | 2023-04-18 | — | — | CN | disclosed |