⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2456899 | 0.87 | — | — | |
| SCHEMBL17439434 | 0.74 | — | — | |
| SCHEMBL2450647 | 0.65 | — | — | |
| SCHEMBL130354 | 0.64 | — | — | |
| SCHEMBL4201008 | 0.64 | ALDH1A1 (0.31) | — | |
| SCHEMBL10577102 | 0.64 | — | — | |
| SCHEMBL109022 | 0.63 | — | — | |
| SCHEMBL3877793 | 0.62 | — | — | |
| SCHEMBL2453787 | 0.62 | — | — | |
| SCHEMBL28822080 | 0.61 | — | — |
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-0110258-A1 | A method for the preparation of a polyvinyl chloride resin shaped article with metallized surface | Shin-Etsu Chemical Co., Ltd. (JP) | 1984-06-13 | — | — | EP | disclosed |