⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2919 | 0.78 | — | — | |
| SCHEMBL1099083 | 0.75 | — | — | |
| SCHEMBL29254222 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL9768925 | 0.73 | — | — | |
| Bromide SCHEMBL28436836 | 0.73 | — | — | |
| SCHEMBL23451619 | 0.73 | — | — | |
| SCHEMBL28433140 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL4454809 | 0.73 | — | — | |
| SCHEMBL28820074 | 0.73 | — | — | |
| Trimethylammonium SCHEMBL27476981 | 0.73 | — | — |
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-107207880-B | Paint formulation and method for the production thereof | 陶氏环球技术有限责任公司 | 2019-11-05 | — | — | CN | disclosed |
| CN-107207880-A | Paint formulation and method for the production thereof | 陶氏环球技术有限责任公司 | 2017-09-26 | — | — | CN | disclosed |