⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23572223 | 0.80 | TDP1 (0.30) | — | |
| SCHEMBL10795506 | 0.78 | FFAR3 (0.35) | — | |
| SCHEMBL9620116 | 0.78 | FFAR3 (0.35) | — | |
| SCHEMBL24706251 | 0.78 | — | — | |
| SCHEMBL17873419 | 0.78 | — | — | |
| SCHEMBL11337166 | 0.76 | FFAR3 (0.33) | — | |
| SCHEMBL22053038 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL9788226 | 0.76 | ABAT (0.35) | — | |
| SCHEMBL3842415 | 0.75 | TET2 (0.33) | — | |
| SCHEMBL23620713 | 0.75 | ADH1B (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5296627-A | Substituted butylene oxide-ethylene oxide copolymers | PPG INDUSTRIES, INC. (US) | 1994-03-22 | — | — | US | disclosed |
| US-5162475-A | Copolymers with ethylenically unsaturated monomers; shrinkage inhibition of knit or non-woven fabrics | PPG INDUSTRIES, INC. (US) | 1992-11-10 | — | — | US | disclosed |