⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14105505 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL17897636 | 0.76 | P2RX7 (0.36) | — | |
| SCHEMBL20643358 | 0.73 | — | — | |
| SCHEMBL27261259 | 0.72 | KDM4E (0.46) | — | |
| SCHEMBL6988660 | 0.70 | KDM4E (0.34) | — | |
| SCHEMBL6573412 | 0.70 | NOTUM (0.57) | — | |
| SCHEMBL20844117 | 0.65 | — | — | |
| SCHEMBL20393126 | 0.65 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL15639192 | 0.64 | AR (0.44) | — | |
| SCHEMBL873423 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020036437-A1 | SUBSTITUTED HETEROARYL DERIVATIVE, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASES WHICH CONTAINS SAME AS ACTIVE INGREDIENT | 재단법인 대구경북첨단의료산업진흥재단 | 2020-02-20 | — | — | WO | disclosed |