⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28783858 | 0.78 | CHRNB2 (0.39) | — | |
| SCHEMBL2633420 | 0.75 | — | — | |
| SCHEMBL348086 | 0.74 | MAPT (0.31) | — | |
| SCHEMBL253076 | 0.72 | — | — | |
| SCHEMBL15492370 | 0.72 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL3087126 | 0.71 | MAPT (0.42) | — | |
| SCHEMBL25025280 | 0.70 | HSD17B10 (0.41) | — | |
| SCHEMBL4199277 | 0.70 | RAB9A (0.38) | — | |
| Water SCHEMBL6682358 | 0.70 | APOBEC3G (0.32) | — | |
| Hydrochloric Acid SCHEMBL28662790 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160031926-A1 | Triazole Compounds and Methods of Making and Using the Same | BioVersys AG (CH) | 2016-02-04 | — | — | US | disclosed |
| US-20160031926-A1 | Triazole Compounds and Methods of Making and Using the Same | BioVersys AG (CH) | 2016-02-04 | — | — | US | disclosed |