⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4362465 | 0.80 | — | — | |
| SCHEMBL4357153 | 0.77 | — | — | |
| Bromide SCHEMBL28824057 | 0.76 | — | — | |
| SCHEMBL87312 | 0.75 | CYP3A4 (0.32) | — | |
| Iodide SCHEMBL2341578 | 0.73 | CYP3A4 (0.31) | — | |
| Bromide SCHEMBL1045354 | 0.73 | CYP3A4 (0.31) | — | |
| Hydrochloric Acid SCHEMBL572769 | 0.73 | CYP3A4 (0.31) | — | |
| SCHEMBL6428899 | 0.70 | KMT2A (0.30) | — | |
| SCHEMBL1101293 | 0.70 | — | — | |
| SCHEMBL1101132 | 0.68 | — | — |
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-7629300-B2 | Detergent / anti-oxidant additives for lubricants | CHEMTURA CORPORATION (US) | 2009-12-08 | — | — | US | claimed |