⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9684066 | 0.76 | — | — | |
| SCHEMBL24645740 | 0.76 | ADH1B (0.43) | — | |
| SCHEMBL20663905 | 0.73 | — | — | |
| SCHEMBL10463705 | 0.71 | CA12 (0.44) | — | |
| SCHEMBL10463706 | 0.71 | CA12 (0.44) | — | |
| SCHEMBL1548217 | 0.67 | — | — | |
| SCHEMBL1548215 | 0.67 | — | — | |
| SCHEMBL9791578 | 0.67 | — | — | |
| SCHEMBL19852966 | 0.67 | CASP2 (0.33) | — | |
| SCHEMBL15538 | 0.65 | — | — |
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-107652443-A | A kind of surface and the internal hyperbranched poly (ester amine) containing functional group and preparation method thereof | 江南大学 | 2018-02-02 | — | — | CN | disclosed |