⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4637445 | 0.70 | — | — | |
| SCHEMBL29801214 | 0.70 | — | — | |
| SCHEMBL31261057 | 0.61 | COL1A1 (0.35) | — | |
| SCHEMBL27194674 | 0.59 | NOS1 (0.39) | — | |
| SCHEMBL20710521 | 0.59 | ALDH1A1 (0.32) | — | |
| SCHEMBL19231573 | 0.59 | — | — | |
| SCHEMBL5475039 | 0.59 | NOS1 (0.35) | — | |
| SCHEMBL17414002 | 0.58 | ALDH1A1 (0.35) | — | |
| SCHEMBL10473734 | 0.58 | NFKB1 (0.32) | — | |
| SCHEMBL10473735 | 0.58 | NFKB1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3239147-A1 | QUINOLINE DERIVATIVE | Ono Pharmaceutical Co., Ltd. (JP) | 2017-11-01 | — | — | EP | disclosed |