⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18470420 | 0.84 | NPSR1 (0.30) | — | |
| SCHEMBL22317808 | 0.83 | — | — | |
| SCHEMBL26762277 | 0.82 | — | — | |
| SCHEMBL20342010 | 0.79 | NPSR1 (0.31) | — | |
| SCHEMBL22336436 | 0.79 | NPSR1 (0.31) | — | |
| SCHEMBL26619873 | 0.78 | NPSR1 (0.32) | — | |
| SCHEMBL23519202 | 0.77 | NPSR1 (0.31) | — | |
| SCHEMBL20013713 | 0.76 | NPSR1 (0.30) | — | |
| SCHEMBL19848611 | 0.76 | TSHR (0.36) | — | |
| SCHEMBL20013493 | 0.75 | ALDH1A1 (0.43) | — |
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-20170058059-A1 | POLYMER COMPOUND FOR A CONDUCTIVE POLYMER AND METHOD FOR PRODUCING SAME | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2017-03-02 | — | — | US | disclosed |