⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28895612 | 0.80 | — | — | |
| SCHEMBL30314456 | 0.80 | — | — | |
| SCHEMBL5315606 | 0.79 | CTSK (0.33) | — | |
| SCHEMBL28791742 | 0.74 | — | — | |
| SCHEMBL18705871 | 0.72 | GNAI3 (0.30) | — | |
| SCHEMBL18705869 | 0.72 | GNAI3 (0.30) | — | |
| SCHEMBL27151672 | 0.72 | GNAI3 (0.30) | — | |
| SCHEMBL29991013 | 0.72 | CA2 (0.33) | — | |
| SCHEMBL1502938 | 0.72 | SOS1 (0.31) | — | |
| SCHEMBL12821502 | 0.71 | DPP4 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101068816-A | Novel thienopyridinepyrimidine derivatives | ALMIRALL LAB S A (ES) | 2007-11-07 | — | — | CN | claimed |
| WO-2017216726-A1 | SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2017-12-21 | — | — | WO | disclosed |
| CN-101068816-A | Novel thienopyridinepyrimidine derivatives | ALMIRALL LAB S A (ES) | 2007-11-07 | — | — | CN | disclosed |