⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL842186 | 0.86 | ESR2 (0.34) | — | |
| SCHEMBL18665534 | 0.83 | — | — | |
| SCHEMBL18665480 | 0.83 | — | — | |
| SCHEMBL1396178 | 0.81 | ESR1 (0.31) | — | |
| SCHEMBL21094556 | 0.80 | ESR1 (0.30) | — | |
| SCHEMBL21100064 | 0.76 | — | — | |
| SCHEMBL28518251 | 0.75 | MAPT (0.44) | — | |
| SCHEMBL20733597 | 0.74 | — | — | |
| SCHEMBL20733584 | 0.74 | — | — | |
| SCHEMBL22819025 | 0.74 | NPC1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017047808-A1 | COPOLYMER, PHOTOELECTRIC CONVERSION ELEMENT, SOLAR BATTERY, AND SOLAR BATTERY MODULE | 三菱化学株式会社 | 2017-03-23 | — | — | WO | disclosed |