⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4198329 | 0.74 | BRPF1 (0.55) | — | |
| SCHEMBL4198042 | 0.70 | BTK (0.39) | — | |
| SCHEMBL27676727 | 0.64 | — | — | |
| SCHEMBL27335448 | 0.64 | ALDH1A1 (0.35) | — | |
| SCHEMBL1450538 | 0.63 | BRPF1 (0.55) | — | |
| SCHEMBL18422387 | 0.60 | — | — | |
| SCHEMBL9080236 | 0.59 | MAPT (0.55) | — | |
| SCHEMBL443607 | 0.59 | PRKCI (0.44) | — | |
| SCHEMBL129202 | 0.58 | — | — | |
| SCHEMBL2302805 | 0.57 | HTR6 (0.42) | — |
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-1046529-A | Carbostyril derivative | OTSUKA PHARMA CO LTD (JP) | 1990-10-31 | — | — | CN | disclosed |