⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL57190 | 0.81 | CYP2C19 (0.38) | — | |
| Hydrochloric Acid SCHEMBL28741000 | 0.79 | CYP2C19 (0.36) | — | |
| SCHEMBL1092293 | 0.79 | CYP2C19 (0.36) | — | |
| SCHEMBL821366 | 0.79 | — | — | |
| SCHEMBL111512 | 0.79 | EPHX1 (0.39) | — | |
| SCHEMBL17187417 | 0.78 | — | — | |
| SCHEMBL5858073 | 0.77 | ALDH1A1 (0.40) | — | |
| SCHEMBL270457 | 0.77 | CYP2C19 (0.46) | — | |
| SCHEMBL190729 | 0.77 | ALOX15 (0.35) | — | |
| SCHEMBL9577525 | 0.77 | — | — |
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-0114400-A1 | The use of organofunctional silanes as binding agent for inorganic oxides or fillers | UNION CARBIDE CORPORATION (US) | 1984-08-01 | — | — | EP | disclosed |