⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21706426 | 0.83 | — | — | |
| SCHEMBL25450838 | 0.72 | ESR1 (0.33) | — | |
| SCHEMBL19067704 | 0.70 | LMNA (0.38) | — | |
| SCHEMBL18878526 | 0.69 | — | — | |
| SCHEMBL21706453 | 0.69 | — | — | |
| SCHEMBL19067702 | 0.67 | MAPT (0.53) | — | |
| SCHEMBL21211607 | 0.67 | CYP2A6 (0.38) | — | |
| SCHEMBL17301058 | 0.67 | LMNA (0.40) | — | |
| SCHEMBL21706425 | 0.66 | PKM (0.32) | — | |
| SCHEMBL12758103 | 0.65 | PDK2 (0.35) | — |
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-2023100844-A1 | COMPOUND AND PHOTOELECTRIC CONVERSION ELEMENT EMPLOYING SAME | 住友化学株式会社 | 2023-06-08 | — | — | WO | disclosed |