⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3435 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL27766593 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL22282996 | 0.92 | — | — | |
| Propane SCHEMBL27472453 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL3301146 | 0.92 | — | — | |
| Phosphine SCHEMBL28802387 | 0.92 | — | — | |
| SCHEMBL29016171 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL1156994 | 0.92 | — | — | |
| Water SCHEMBL28261310 | 0.92 | — | — | |
| Bromide SCHEMBL28238292 | 0.92 | — | — |
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-106337185-A | BORON-FREE CORROSION INHIBITORS FOR METALWORKING FLUIDS | 雅富顿化学公司 | 2017-01-18 | — | — | CN | disclosed |