⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17738 | 0.93 | — | — | |
| SCHEMBL10404218 | 0.93 | ALDH1A1 (0.71) | — | |
| SCHEMBL3124073 | 0.86 | ALDH1A1 (0.62) | — | |
| SCHEMBL15845319 | 0.86 | — | — | |
| SCHEMBL9357181 | 0.86 | ALDH1A1 (0.86) | — | |
| SCHEMBL3953132 | 0.86 | ALDH1A1 (0.62) | — | |
| SCHEMBL2484333 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL3306237 | 0.86 | — | — | |
| SCHEMBL5007375 | 0.86 | ALDH1A1 (0.62) | — | |
| SCHEMBL10390992 | 0.86 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1047733-B1 | METHOD OF PREPARING ORGANICALLY MODIFIED SILICA GEL | CABOT CORP (US) | 2004-03-17 | — | — | EP | disclosed |
| US-6174926-B1 | PROVIDING MIXTURE CONSISTING OF ORGANICALLY MODIFIED SILICA PRECURSOR WHICH IS TRIFUNCTIONAL SILANE, WATER, TETRAFUNCTIONAL SILANE; ALLOWING ORGANICALLY MODIFIED SILICA TO FORM IN MIXTURE; REMOVING ORGANICALLY MODIFIED SILICA | CABOT CORPORATION | 2001-01-16 | — | — | US | disclosed |
| EP-1047733-A1 | METHOD OF PREPARING ORGANICALLY MODIFIED SILICA | CABOT CORPORATION (US) | 2000-11-02 | — | — | EP | disclosed |
| WO-1999036479-A1 | METHOD OF PREPARING ORGANICALLY MODIFIED SILICA | CABOT CORPORATION (US) | 1999-07-22 | — | — | WO | disclosed |