⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11126464 | 0.90 | ALOX15 (0.37) | — | |
| SCHEMBL23633796 | 0.88 | ALOX15 (0.35) | — | |
| SCHEMBL8686575 | 0.83 | — | — | |
| SCHEMBL15884555 | 0.82 | ALOX15 (0.48) | — | |
| Hydrochloric Acid SCHEMBL2072934 | 0.81 | — | — | |
| SCHEMBL27685618 | 0.80 | ALOX15 (0.41) | — | |
| SCHEMBL1252986 | 0.78 | KDM4E (0.52) | — | |
| SCHEMBL16948552 | 0.76 | KDM4E (0.50) | — | |
| SCHEMBL1487868 | 0.76 | — | — | |
| SCHEMBL1487870 | 0.76 | — | — |
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-3053923-B1 | TRIAZOLOPYRAZINE DERIVATIVES AS TYROSIN KINASE INHIBITORS | KOREA RES INST CHEMICAL TECH (KR) | 2018-04-11 | — | — | EP | disclosed |