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 | |
|---|---|---|---|---|
| SCHEMBL375022 | 0.88 | KDM6B (0.34) | — | |
| SCHEMBL1037821 | 0.88 | KDM6B (0.34) | — | |
| Hydrochloric Acid SCHEMBL10688547 | 0.86 | KDM6B (0.33) | — | |
| Propane SCHEMBL28476845 | 0.86 | KDM6B (0.33) | — | |
| Hydroxyl Radical SCHEMBL28854230 | 0.86 | KDM6B (0.33) | — | |
| Chloromethane SCHEMBL3458390 | 0.84 | KDM6B (0.32) | — | |
| Hydrochloric Acid SCHEMBL28568637 | 0.84 | KDM6B (0.32) | — | |
| Trimethylammonium SCHEMBL5017420 | 0.79 | APEX1 (0.30) | — | |
| Trimethylammonium SCHEMBL5017423 | 0.79 | APEX1 (0.30) | — | |
| SCHEMBL27868433 | 0.79 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109592764-A | Method and sedimentation agent for methanol-to-olefins chilling water system good antiscale property | 艺康美国股份有限公司 | 2019-04-09 | — | — | CN | claimed |
| CN-109592764-A | Method and sedimentation agent for methanol-to-olefins chilling water system good antiscale property | 艺康美国股份有限公司 | 2019-04-09 | — | — | CN | disclosed |