⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27967038 | 0.77 | — | — | |
| SCHEMBL22363831 | 0.74 | — | — | |
| SCHEMBL10308609 | 0.74 | — | — | |
| SCHEMBL17790692 | 0.74 | — | — | |
| SCHEMBL2270495 | 0.70 | — | — | |
| SCHEMBL27697760 | 0.69 | — | — | |
| SCHEMBL830542 | 0.67 | — | — | |
| SCHEMBL20117575 | 0.67 | — | — | |
| SCHEMBL162036 | 0.67 | — | — | |
| SCHEMBL10065855 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3452460-B1 | HETEROARYL-1,2,4-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS FOR CONTROLLING ECTOPARASITES | ELANCO TIERGESUNDHEIT AG (CH) | 2020-02-12 | — | — | EP | disclosed |
| US-20170273933-A1 | ANTI-TUMOR COMPOUND AND THE MEDICAL USE THEREOF | Tianjin Medical University Cancer Institute and Hospital (CN) | 2017-09-28 | — | — | US | disclosed |