⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12973053 | 0.80 | PTP4A3 (0.32) | — | |
| SCHEMBL3434302 | 0.72 | GAA (0.36) | — | |
| SCHEMBL2789210 | 0.59 | PTGS1 (0.33) | — | |
| SCHEMBL17175075 | 0.45 | NOS3 (0.31) | — | |
| SCHEMBL25946822 | 0.44 | APLNR (0.37) | — | |
| SCHEMBL19448330 | 0.43 | APLNR (0.31) | — | |
| SCHEMBL18570823 | 0.43 | — | — | |
| SCHEMBL10037339 | 0.43 | — | — | |
| SCHEMBL12629173 | 0.43 | NOS3 (0.36) | — | |
| SCHEMBL9754958 | 0.43 | NOS3 (0.36) | — |
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-20120091437-A1 | POLYMER, ORGANIC THIN FILM COMPRISING THE POLYMER, AND ORGANIC THIN-FILM ELEMENT INCLUDING SAME | OSAKA UNIVERSITY (JP) | 2012-04-19 | — | — | US | disclosed |