⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1535073 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL30576694 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL29078047 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL31167430 | 0.69 | — | — | |
| SCHEMBL18654060 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL4463879 | 0.69 | — | — | |
| SCHEMBL9017025 | 0.68 | — | — | |
| SCHEMBL6555692 | 0.68 | ELANE (0.37) | — | |
| SCHEMBL29246869 | 0.67 | DGAT1 (0.37) | — | |
| SCHEMBL10727764 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5306765-A | Containing units derived from a vinyl monomer with a hydrolyzable silyl group and from a vinyl monomer having an aminimide group | SANYO CHEMICAL INDUSTRIES, LTD. (JP) | 1994-04-26 | — | — | US | disclosed |