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 | |
|---|---|---|---|---|
| SCHEMBL28027885 | 0.89 | BBOX1 (0.32) | — | |
| SCHEMBL10384644 | 0.76 | — | — | |
| SCHEMBL11762341 | 0.67 | TSHR (0.49) | — | |
| Hydrochloric Acid SCHEMBL28736100 | 0.66 | TSHR (0.32) | — | |
| Sulfuric Acid SCHEMBL775345 | 0.65 | TSHR (0.31) | — | |
| SCHEMBL18690265 | 0.64 | ACHE (0.41) | — | |
| Sulfuric Acid SCHEMBL775348 | 0.64 | TSHR (0.31) | — | |
| Acrylamide SCHEMBL28076239 | 0.64 | CHRM5 (0.44) | — | |
| SCHEMBL304033 | 0.63 | TSHR (0.43) | — | |
| Acrylamide SCHEMBL181865 | 0.63 | POLB (0.36) | — |
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-105283521-A | Surface treatment agent for surface configured from inorganic material, tool and device having modified surface, and method for manufacturing tool and device | JSR CORP | 2016-01-27 | — | — | CN | disclosed |