⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL734255 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL4947799 | 0.77 | ORAI1 (0.45) | — | |
| SCHEMBL12281931 | 0.69 | CA2 (0.35) | — | |
| SCHEMBL14379304 | 0.65 | ENPP2 (0.36) | — | |
| SCHEMBL14379318 | 0.63 | PTGS2 (0.40) | — | |
| Toluene SCHEMBL13405627 | 0.63 | — | — | |
| SCHEMBL12282435 | 0.61 | CA2 (0.39) | — | |
| SCHEMBL1265111 | 0.61 | TRPV6 (0.47) | — | |
| SCHEMBL9946022 | 0.61 | CA2 (0.39) | — | |
| SCHEMBL17233749 | 0.61 | TRPV6 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110201815-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2011-08-18 | — | — | US | disclosed |