⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28663834 | 0.87 | CCNT1 (0.43) | — | |
| SCHEMBL28929164 | 0.74 | CHEK1 (0.43) | — | |
| SCHEMBL28672738 | 0.74 | — | — | |
| SCHEMBL28660399 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL28445773 | 0.71 | — | — | |
| SCHEMBL28654896 | 0.71 | BRD4 (0.45) | — | |
| SCHEMBL28660403 | 0.69 | HTR1A (0.42) | — | |
| SCHEMBL25173561 | 0.68 | DRD2 (0.50) | — | |
| SCHEMBL30160436 | 0.68 | DRD2 (0.50) | — | |
| SCHEMBL12609710 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113717158-A | 2- (N- (pyridine-2-yl) amino) quinoline derivative and application thereof | 河南省人民医院 | 2021-11-30 | — | — | CN | claimed |
| CN-113717158-A | 2- (N- (pyridine-2-yl) amino) quinoline derivative and application thereof | 河南省人民医院 | 2021-11-30 | — | — | CN | disclosed |