⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12454220 | 0.67 | — | — | |
| SCHEMBL14430844 | 0.67 | — | — | |
| SCHEMBL27870948 | 0.61 | — | — | |
| SCHEMBL19300201 | 0.61 | — | — | |
| SCHEMBL24850106 | 0.61 | — | — | |
| SCHEMBL24162100 | 0.60 | — | — | |
| SCHEMBL19313149 | 0.59 | — | — | |
| SCHEMBL16766348 | 0.58 | CDC25A (0.33) | — | |
| SCHEMBL22142197 | 0.58 | — | — | |
| SCHEMBL21737806 | 0.58 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3173412-B1 | 2,4-DISUBSTITUTED 7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE, PREPARATION METHOD AND MEDICINAL USE THEREOF | SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) | 2019-10-23 | — | — | EP | disclosed |