⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19634246 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL6173406 | 0.67 | — | — | |
| SCHEMBL11023410 | 0.63 | ALDH1A1 (0.30) | — | |
| SCHEMBL2002992 | 0.63 | ALDH1A1 (0.30) | — | |
| SCHEMBL255896 | 0.63 | TSHR (0.31) | — | |
| SCHEMBL8119433 | 0.60 | TSHR (0.31) | — | |
| SCHEMBL15113602 | 0.59 | — | — | |
| SCHEMBL3613994 | 0.58 | CRBN (0.35) | — | |
| Hydrochloric Acid SCHEMBL5816380 | 0.57 | CRBN (0.34) | — | |
| SCHEMBL2612037 | 0.57 | — | — |
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 |