⚠ 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 | |
|---|---|---|---|---|
| Carbamic Acid SCHEMBL28155477 | 0.87 | — | — | |
| SCHEMBL27984130 | 0.86 | — | — | |
| Succinic Acid SCHEMBL27814345 | 0.85 | TSHR (0.35) | — | |
| SCHEMBL39563 | 0.84 | — | — | |
| Alcohol SCHEMBL28726818 | 0.83 | — | — | |
| Benzene SCHEMBL28859473 | 0.83 | — | — | |
| Acrylic Acid SCHEMBL27458095 | 0.83 | LMNA (0.31) | — | |
| Methacrylic Acid SCHEMBL27486660 | 0.83 | — | — | |
| SCHEMBL465442 | 0.82 | — | — | |
| SCHEMBL3916301 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103974959-B | Hydrolyzable silane | 道康宁公司 | 2017-03-08 | — | — | CN | disclosed |