⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL99646 | 0.74 | CA12 (0.65) | — | |
| SCHEMBL28189161 | 0.71 | — | — | |
| SCHEMBL1585896 | 0.69 | CA12 (0.59) | — | |
| SCHEMBL16371883 | 0.69 | CA12 (0.53) | — | |
| SCHEMBL11051 | 0.69 | CA12 (0.53) | — | |
| SCHEMBL27878117 | 0.68 | — | — | |
| SCHEMBL10385905 | 0.67 | CA12 (0.52) | — | |
| Water SCHEMBL11215220 | 0.67 | CA12 (0.57) | — | |
| SCHEMBL253353 | 0.67 | CA12 (0.52) | — | |
| Water SCHEMBL10657216 | 0.67 | CA12 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160093413-A1 | ELECTROCONDUCTIVE COMPOSITION, ELECTRICAL CONDUCTOR, LAMINATE AND METHOD FOR PRODUCING SAME, ELECTROCONDUCTIVE FILM, AND SOLID ELECTROLYTE CONDENSER | MITSUBISHI RAYON CO., LTD. (JP) | 2016-03-31 | — | — | US | disclosed |