⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL818508 | 0.77 | HTR6 (0.50) | — | |
| Water SCHEMBL28012117 | 0.72 | TSHR (0.55) | — | |
| SCHEMBL19880 | 0.72 | CA2 (0.55) | — | |
| SCHEMBL600074 | 0.72 | ALDH1A1 (0.55) | — | |
| SCHEMBL20194 | 0.72 | ENPP2 (0.50) | — | |
| SCHEMBL50583 | 0.72 | TSHR (0.55) | — | |
| SCHEMBL1726649 | 0.72 | — | — | |
| SCHEMBL1490225 | 0.72 | F2 (0.41) | — | |
| SCHEMBL19975116 | 0.71 | CA12 (0.52) | — | |
| SCHEMBL3048225 | 0.71 | HTR6 (0.58) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8921124-B2 | Pyrazole-based cyanine dye | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2014-12-30 | — | — | US | disclosed |
| WO-2012033298-A3 | METHOD FOR MANUFACTURING A NOX GAS SENSOR, AND NOX GAS SENSOR MANUFACTURED USING SAME | 일진머티리얼즈 주식회사 (KR) | 2012-05-10 | — | — | WO | disclosed |
| EP-2006289-B1 | PYRAZOLE-TYPE CYANINE DYE | WAKO PURE CHEM IND LTD (JP) | 2011-11-30 | — | — | EP | disclosed |
| US-20090069546-A1 | PYRAZOLE-BASED CYANINE DYE | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2009-03-12 | — | — | US | disclosed |
| EP-2006289-A1 | PYRAZOLE-TYPE CYANINE DYE | Wako Pure Chemical Industries, Ltd. (JP) | 2008-12-24 | — | — | EP | disclosed |