Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5664721 | 1.00 | — | — | |
| Sulfuric Acid SCHEMBL5663684 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL33996 | 0.86 | ALDH1A1 (0.37) | — | |
| SCHEMBL151388 | 0.86 | ALDH1A1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL14237669 | 0.84 | ALDH1A1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL5665875 | 0.84 | ALDH1A1 (0.35) | — | |
| Chloromethane SCHEMBL21631051 | 0.83 | TSHR (0.34) | — | |
| SCHEMBL7776946 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL1127675 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL2501493 | 0.75 | ALDH1A1 (0.48) | — |
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-106147354-A | A kind of coating anti-sticking agent composite and application thereof | 埃科莱布美国股份有限公司 | 2016-11-23 | — | — | CN | disclosed |