⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14670972 | 0.83 | TSHR (0.30) | — | |
| SCHEMBL23945389 | 0.80 | KDM4E (0.36) | — | |
| SCHEMBL19010144 | 0.73 | — | — | |
| SCHEMBL19010140 | 0.73 | — | — | |
| SCHEMBL23588764 | 0.73 | SCN1A (0.30) | — | |
| SCHEMBL19010141 | 0.73 | — | — | |
| SCHEMBL16375267 | 0.73 | — | — | |
| SCHEMBL25513248 | 0.73 | OPRL1 (0.34) | — | |
| SCHEMBL22200265 | 0.72 | — | — | |
| SCHEMBL16375276 | 0.71 | CYP3A4 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170304305-A1 | QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF | XUANZHU PHARMA CO LTD (CN) | 2017-10-26 | — | — | US | disclosed |
| US-9682991-B2 | Tricyclic compounds for use as kinase inhibitors | FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) | 2017-06-20 | — | — | US | disclosed |
| US-20130065881-A1 | Tricyclic Compounds for Use as Kinase Inhibitors | CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (ES) | 2013-03-14 | — | — | US | disclosed |