⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22488147 | 0.77 | — | — | |
| SCHEMBL21650708 | 0.72 | — | — | |
| Urea SCHEMBL21815139 | 0.68 | TDP1 (0.36) | — | |
| SCHEMBL165599 | 0.67 | — | — | |
| SCHEMBL17850262 | 0.67 | — | — | |
| SCHEMBL11193609 | 0.65 | — | — | |
| SCHEMBL18595402 | 0.65 | — | — | |
| SCHEMBL19593058 | 0.65 | — | — | |
| SCHEMBL9513156 | 0.64 | — | — | |
| Ammonia Solution, Strong SCHEMBL28014704 | 0.64 | — | — |
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-3387045-B1 | METHOD AND COMPOSITION FOR HYDROSILYLATION OF CARBOXYLIC ACID ALKENYL ESTERS AND HYDROGEN TERMINATED ORGANOSILOXANE OLIGOMERS WITH AN IRIDIUM COMPLEX CATALYST | DOW SILICONES CORP (US) | 2020-01-29 | — | — | EP | disclosed |