⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9561 | 0.96 | — | — | |
| SCHEMBL20873649 | 0.92 | — | — | |
| SCHEMBL11592437 | 0.92 | TSHR (0.31) | — | |
| Cyclohexane SCHEMBL28207438 | 0.86 | MEN1 (0.33) | — | |
| SCHEMBL28095245 | 0.81 | — | — | |
| SCHEMBL28275951 | 0.74 | TDP1 (0.32) | — | |
| SCHEMBL28166582 | 0.73 | — | — | |
| SCHEMBL4655343 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL97935 | 0.69 | — | — | |
| SCHEMBL9575088 | 0.69 | — | — |
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-108473607-A | No-solvent type silicone-modified polyimides resin combination | 信越化学工业株式会社 | 2018-08-31 | — | — | CN | disclosed |