⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19264436 | 0.87 | — | — | |
| SCHEMBL19634221 | 0.78 | SLC6A3 (0.30) | — | |
| SCHEMBL14826537 | 0.77 | L3MBTL3 (0.31) | — | |
| SCHEMBL19507212 | 0.74 | LMNA (0.39) | — | |
| SCHEMBL18873031 | 0.72 | NCF1 (0.43) | — | |
| SCHEMBL18873032 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL15112751 | 0.70 | CHRM2 (0.30) | — | |
| SCHEMBL21506154 | 0.69 | CHRM2 (0.35) | — | |
| SCHEMBL24485371 | 0.68 | L3MBTL3 (0.30) | — | |
| SCHEMBL18595794 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9730934-B2 | Quinazoline derivatives substituted by aniline, preparation method and use thereof | Xuanzhu Pharma Co., Ltd. (CN) | 2017-08-15 | — | — | US | disclosed |