⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9239392 | 0.93 | KDM1A (0.52) | — | |
| SCHEMBL9239386 | 0.93 | KDM1A (0.52) | — | |
| Hydrochloric Acid SCHEMBL8885631 | 0.91 | KDM1A (0.54) | — | |
| Hydrochloric Acid SCHEMBL8885622 | 0.91 | KDM1A (0.54) | — | |
| SCHEMBL1948513 | 0.87 | KDM1A (0.43) | — | |
| SCHEMBL3312976 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL28850227 | 0.84 | KDM1A (0.46) | — | |
| Hydrochloric Acid SCHEMBL3009329 | 0.84 | KDM1A (0.46) | — | |
| Hydrochloric Acid SCHEMBL29789467 | 0.84 | KDM1A (0.46) | — | |
| Bromide SCHEMBL29789484 | 0.84 | KDM1A (0.42) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108603044-B | Method for producing white pigment-containing products | OMYA国际股份公司 | 2020-10-27 | — | — | CN | claimed |
| EP-1014999-B1 | CATIONIC POLYMERS AS TOXIN-BINDING AGENTS | GENZYME CORP (US) | 2004-12-08 | — | — | EP | claimed |
| US-20100104659-A1 | BENZOPYRANOPYRAZOLES | 4SC AG (DE) | 2010-04-29 | — | — | US | disclosed |