⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7994197 | 0.68 | MAPT (0.38) | — | |
| SCHEMBL21522930 | 0.63 | ADRB2 (0.36) | — | |
| SCHEMBL20223495 | 0.61 | ALDH1A1 (0.32) | — | |
| SCHEMBL24463362 | 0.60 | HTR2A (0.32) | — | |
| SCHEMBL25355556 | 0.60 | KDM4E (0.41) | — | |
| SCHEMBL15826479 | 0.59 | POLB (0.39) | — | |
| SCHEMBL20149226 | 0.58 | CYP3A4 (0.38) | — | |
| SCHEMBL25353121 | 0.56 | ALDH1A1 (0.43) | — | |
| SCHEMBL11901396 | 0.56 | ALDH1A1 (0.45) | — | |
| SCHEMBL13718688 | 0.56 | GSK3B (0.40) | — |
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-2001090102-A2 | 6-HETEROCYCLYL-3-OXO-3,4-DIHYDRO-QUINOXALINES | BAYER AKTIENGESELLSCHAFT (DE) | 2001-11-29 | — | — | WO | disclosed |