⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19506622 | 0.79 | CHRNB2 (0.33) | — | |
| SCHEMBL255862 | 0.78 | CHRNB2 (0.34) | — | |
| SCHEMBL18873032 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL18633033 | 0.73 | CHRNB2 (0.33) | — | |
| SCHEMBL15112748 | 0.70 | CHRNB2 (0.32) | — | |
| SCHEMBL18873054 | 0.67 | TSHR (0.34) | — | |
| SCHEMBL15113590 | 0.67 | HRH3 (0.32) | — | |
| SCHEMBL23374642 | 0.66 | PIK3CD (0.34) | — | |
| SCHEMBL21859531 | 0.66 | TSHR (0.33) | — | |
| SCHEMBL22400206 | 0.66 | TSHR (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10507209-B2 | Quinazoline derivatives substituted by aniline, preparation method and use thereof | XUANZHU PHARMA CO, LTD. (CN) | 2019-12-17 | — | — | US | disclosed |
| US-20170333433-A1 | QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF | XUANZHU PHARMA CO, LTD. (CN) | 2017-11-23 | — | — | US | disclosed |