⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5448475 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL306486 | 0.87 | ALDH1A1 (0.34) | — | |
| SCHEMBL11190269 | 0.87 | TSHR (0.35) | — | |
| SCHEMBL3896816 | 0.85 | — | — | |
| SCHEMBL11059701 | 0.84 | TSHR (0.35) | — | |
| SCHEMBL11210742 | 0.84 | TSHR (0.36) | — | |
| SCHEMBL23120124 | 0.83 | ALDH1A1 (0.43) | — | |
| SCHEMBL4603163 | 0.83 | THRB (0.32) | — | |
| Acrylic Acid SCHEMBL28111560 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL6575777 | 0.80 | ALDH1A1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0073027-A2 | Masterbatch composition comprising a matrix having a polysiloxane dispersed therein and a method for the preparation thereof | UNION CARBIDE CORPORATION (US) | 1983-03-02 | — | — | EP | disclosed |