⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL1092289 | 0.98 | — | — | |
| SCHEMBL581056 | 0.82 | — | — | |
| SCHEMBL954310 | 0.77 | THRB (0.32) | — | |
| SCHEMBL7568882 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL2003854 | 0.76 | — | — | |
| SCHEMBL27781936 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL2170804 | 0.76 | ALOX15 (0.31) | — | |
| SCHEMBL3089481 | 0.74 | CHRM1 (0.36) | — | |
| SCHEMBL18190791 | 0.74 | — | — | |
| SCHEMBL11118295 | 0.74 | ALDH1A1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1157146-B1 | SILANE COATINGS FOR BONDING RUBBER TO METALS | UNIV CINCINNATI (US) | 2003-10-22 | — | — | EP | claimed |
| EP-1198616-A1 | ACYLOXY SILANE TREATMENTS FOR METALS | THE UNIVERSITY OF CINCINNATI (US) | 2002-04-24 | — | — | EP | disclosed |
| WO-2001006036-A1 | ACYLOXY SILANE TREATMENTS FOR METALS | UNIVERSITY OF CINCINNATI (GB) | 2001-01-25 | — | — | WO | disclosed |