⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9096566 | 0.90 | SHBG (0.32) | — | |
| SCHEMBL4303252 | 0.87 | SHBG (0.36) | — | |
| Water SCHEMBL28148186 | 0.85 | SHBG (0.34) | — | |
| SCHEMBL263661 | 0.84 | — | — | |
| SCHEMBL7195519 | 0.83 | HCRTR2 (0.31) | — | |
| SCHEMBL128990 | 0.79 | PPM1B (0.31) | — | |
| SCHEMBL17783726 | 0.77 | — | — | |
| SCHEMBL7554652 | 0.73 | DPP4 (0.36) | — | |
| SCHEMBL7063454 | 0.72 | — | — | |
| SCHEMBL28165098 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6140445-A | ALKOXY SILANE OLIGOMERS WHICH HAVE A NON-HYDROLYZABLE CARBON BRIDGED BOND TO ANOTHER SILANE FUNCTIONALITY | CROMPTON CORPORATION (US) | 2000-10-31 | — | — | US | disclosed |