⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL222969 | 0.74 | — | — | |
| SCHEMBL27635819 | 0.63 | — | — | |
| SCHEMBL20593972 | 0.63 | — | — | |
| SCHEMBL2032718 | 0.61 | TTR (0.33) | — | |
| SCHEMBL15052687 | 0.57 | — | — | |
| SCHEMBL21841415 | 0.57 | — | — | |
| SCHEMBL327467 | 0.57 | — | — | |
| SCHEMBL793259 | 0.57 | — | — | |
| SCHEMBL9681485 | 0.57 | — | — | |
| SCHEMBL8151951 | 0.57 | — | — |
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-104995561-B | Conductive material precursor and method for producing conductive material | 三菱制纸株式会社 | 2019-09-27 | — | — | CN | disclosed |
| CN-107001603-B | water-soluble polycarbonate for medical applications | 国际商业机器公司 | 2018-12-25 | — | — | CN | disclosed |
| CN-107001603-A | water-soluble polycarbonate for medical applications | 国际商业机器公司 | 2017-08-01 | — | — | CN | disclosed |