⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28023171 | 0.71 | MAPT (0.32) | — | |
| SCHEMBL27459327 | 0.71 | — | — | |
| SCHEMBL16486471 | 0.70 | MAPT (0.34) | — | |
| SCHEMBL27368384 | 0.69 | IDO1 (0.32) | — | |
| SCHEMBL30030411 | 0.69 | IDO1 (0.32) | — | |
| SCHEMBL28190714 | 0.69 | CASP1 (0.32) | — | |
| SCHEMBL1096641 | 0.62 | MAOA (0.36) | — | |
| SCHEMBL93342 | 0.61 | KMT2A (0.48) | — | |
| SCHEMBL1706197 | 0.60 | KMT2A (0.47) | — | |
| SCHEMBL10711952 | 0.60 | KMT2A (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107428747-A | Substituted pyridobenzodiazepine ketone derivative and use thereof | 拜耳制药股份公司 | 2017-12-01 | — | — | CN | disclosed |