⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13502149 | 0.86 | — | — | |
| SCHEMBL14188375 | 0.83 | — | — | |
| SCHEMBL14188376 | 0.81 | — | — | |
| SCHEMBL13502207 | 0.75 | GPR3 (0.42) | — | |
| SCHEMBL13502219 | 0.75 | ESR2 (0.43) | — | |
| SCHEMBL13502211 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL13502225 | 0.72 | — | — | |
| SCHEMBL13502245 | 0.72 | PDE3B (0.42) | — | |
| SCHEMBL13502223 | 0.71 | LDHA (0.40) | — | |
| SCHEMBL13502237 | 0.71 | — | — |
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-20080103278-A1 | NEW POLYMER AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME | SUMITOMO CHEMICAL COMPANY, LIMITED | 2008-05-01 | — | — | US | disclosed |