⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17434359 | 0.64 | — | — | |
| SCHEMBL16372275 | 0.60 | — | — | |
| SCHEMBL18676691 | 0.59 | — | — | |
| SCHEMBL17434523 | 0.56 | — | — | |
| SCHEMBL7934131 | 0.54 | — | — | |
| SCHEMBL10050831 | 0.54 | — | — | |
| SCHEMBL12030072 | 0.53 | PTPN1 (0.31) | — | |
| SCHEMBL10370753 | 0.53 | — | — | |
| SCHEMBL11259921 | 0.53 | — | — | |
| SCHEMBL16024475 | 0.53 | — | — |
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-108069938-A | 2,4- disubstituted pyridines and its preparation method and application | 中国药科大学 | 2018-05-25 | — | — | CN | disclosed |
| CN-107286140-A | Substituted aromatic amines base heteroaromatic class compound and its application as antineoplastic | 上海医药工业研究院 | 2017-10-24 | — | — | CN | disclosed |