⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17734076 | 0.62 | — | — | |
| SCHEMBL19724831 | 0.60 | — | — | |
| SCHEMBL20439566 | 0.57 | — | — | |
| SCHEMBL13759762 | 0.47 | — | — | |
| SCHEMBL15121138 | 0.40 | — | — | |
| SCHEMBL3392198 | 0.34 | — | — | |
| Hydrochloric Acid SCHEMBL1449238 | 0.29 | — | — | |
| Hydrochloric Acid SCHEMBL72335 | 0.29 | — | — | |
| Water SCHEMBL1087808 | 0.29 | — | — | |
| Water SCHEMBL490048 | 0.29 | — | — |
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-2966075-A1 | CERTAIN TRIAZOLOPYRIDINES, COMPOSITIONS THEREOF AND THEIR USE IN THE TREATMENT OF CANCER. | Hutchison Medipharma Limited (CN) | 2016-01-13 | — | — | EP | disclosed |