⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22743363 | 0.82 | — | — | |
| SCHEMBL27541228 | 0.82 | POLB (0.33) | — | |
| SCHEMBL28357706 | 0.78 | — | — | |
| SCHEMBL28814672 | 0.77 | HDAC4 (0.33) | — | |
| SCHEMBL13613442 | 0.67 | — | — | |
| SCHEMBL20654712 | 0.66 | — | — | |
| SCHEMBL26857211 | 0.66 | — | — | |
| SCHEMBL891174 | 0.65 | TSHR (0.33) | — | |
| SCHEMBL20404398 | 0.63 | — | — | |
| SCHEMBL15492509 | 0.63 | — | — |
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-107652760-A | A kind of environment-friendly polyurethane dual ink set and its manufacture method for being adapted to ultrahigh speed printing | 洋紫荆油墨（浙江）有限公司 | 2018-02-02 | — | — | CN | disclosed |