⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL105579 | 0.82 | — | — | |
| Trimethylammonium SCHEMBL28407532 | 0.74 | — | — | |
| SCHEMBL21436933 | 0.74 | CYP19A1 (0.32) | — | |
| SCHEMBL106690 | 0.73 | — | — | |
| SCHEMBL105968 | 0.73 | — | — | |
| SCHEMBL3145010 | 0.72 | SMYD3 (0.33) | — | |
| SCHEMBL28847718 | 0.72 | — | — | |
| SCHEMBL106805 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL13269215 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL106934 | 0.72 | ALDH1A1 (0.32) | — |
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-104011290-B | Heat transfer textile inks | 道康宁公司 | 2016-12-14 | — | — | CN | disclosed |