⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL181436 | 0.89 | CA12 (0.54) | — | |
| SCHEMBL366208 | 0.87 | ALDH1A1 (0.44) | — | |
| SCHEMBL28140018 | 0.84 | CA12 (0.56) | — | |
| Isopropyl Alcohol SCHEMBL11146748 | 0.84 | CA12 (0.62) | — | |
| SCHEMBL17472963 | 0.84 | CA12 (0.62) | — | |
| Propylene Glycol SCHEMBL2359174 | 0.82 | CA12 (0.53) | — | |
| Hydroxyamine SCHEMBL1454942 | 0.80 | ANPEP (0.38) | — | |
| SCHEMBL8618177 | 0.79 | OPRM1 (0.39) | — | |
| SCHEMBL1047201 | 0.79 | — | — | |
| SCHEMBL13937600 | 0.79 | — | — |
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-107652443-A | A kind of surface and the internal hyperbranched poly (ester amine) containing functional group and preparation method thereof | 江南大学 | 2018-02-02 | — | — | CN | disclosed |
| EP-0417990-A1 | Succinimides and their use as fuel additives | ETHYL PETROLEUM ADDITIVES, INC. (US) | 1991-03-20 | — | — | EP | disclosed |