⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9576328 | 0.96 | — | — | |
| SCHEMBL9576543 | 0.96 | — | — | |
| SCHEMBL11075197 | 0.88 | — | — | |
| SCHEMBL64809 | 0.85 | CES2 (0.31) | — | |
| SCHEMBL11082522 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL11075324 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL216518 | 0.82 | — | — | |
| SCHEMBL35806 | 0.82 | — | — | |
| SCHEMBL11080241 | 0.81 | — | — | |
| SCHEMBL10794938 | 0.81 | TSHR (0.37) | — |
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-4463149-A | UNSATURATED POLYSILOXANES | POLYMER TECHNOLOGY CORPORATION (US) | 1984-07-31 | — | — | US | claimed |
| US-4463149-A | UNSATURATED POLYSILOXANES | POLYMER TECHNOLOGY CORPORATION (US) | 1984-07-31 | — | — | US | disclosed |