⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28346622 | 0.74 | BRD4 (0.38) | — | |
| SCHEMBL28349709 | 0.73 | — | — | |
| SCHEMBL3254446 | 0.66 | BRD4 (0.38) | — | |
| SCHEMBL299601 | 0.62 | ALDH1A1 (0.46) | — | |
| SCHEMBL16704254 | 0.61 | ALDH1A1 (0.41) | — | |
| SCHEMBL16703630 | 0.59 | HSD17B10 (0.34) | — | |
| SCHEMBL5355959 | 0.58 | ALDH1A1 (0.32) | — | |
| SCHEMBL5369767 | 0.58 | ALDH1A1 (0.33) | — | |
| SCHEMBL1275141 | 0.58 | L3MBTL1 (0.36) | — | |
| SCHEMBL20085519 | 0.58 | AHR (0.49) | — |
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-110698416-B | Preparation method of pyridine quinazoline intermediate | 湖南速博生物技术有限公司 | 2020-03-20 | — | — | CN | disclosed |
| CN-110698416-A | Preparation method of pyridine quinazoline intermediate | 湖南速博生物技术有限公司 | 2020-01-17 | — | — | CN | disclosed |