⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL79717 | 0.97 | — | — | |
| SCHEMBL11329381 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL355659 | 0.95 | — | — | |
| SCHEMBL8587037 | 0.95 | — | — | |
| Butane SCHEMBL826689 | 0.88 | ALOX5 (0.42) | — | |
| Acetic Acid SCHEMBL27448581 | 0.84 | ALOX5 (0.51) | — | |
| SCHEMBL4122317 | 0.84 | ALOX5 (0.51) | — | |
| Carbamic Acid SCHEMBL27401541 | 0.83 | ALOX5 (0.59) | — | |
| SCHEMBL2030838 | 0.81 | ALOX5 (0.47) | — | |
| Methacrylic Acid SCHEMBL22733749 | 0.78 | ALOX5 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110036138-A | Thio (two) silane | 美国陶氏有机硅公司 | 2019-07-19 | — | — | CN | disclosed |