⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6952064 | 0.77 | NAAA (0.41) | — | |
| SCHEMBL28003206 | 0.77 | — | — | |
| SCHEMBL6946251 | 0.76 | — | — | |
| SCHEMBL4648931 | 0.76 | CYP1A2 (0.41) | — | |
| Hydrochloric Acid SCHEMBL7378891 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL4485364 | 0.74 | CYP1A2 (0.39) | — | |
| SCHEMBL28148095 | 0.71 | — | — | |
| SCHEMBL11027350 | 0.71 | — | — | |
| SCHEMBL9472178 | 0.70 | — | — | |
| SCHEMBL6434568 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0808829-B1 | Fluorescent group-containing carbodiimide compound | NISSHIN SPINNING (JP) | 2003-04-09 | — | — | EP | disclosed |
| US-5856479-A | LABEL FOR NUCLEIC ACID DETECTION, IMMUNOASSAY OR CHEMILUMINESCENCE | NISSHINBO INDUSTRIES, INC. (JP) | 1999-01-05 | — | — | US | disclosed |
| EP-0808829-A1 | Fluorescent group-containing carbodiimide compound | NISSHINBO INDUSTRIES, INC. (JP) | 1997-11-26 | — | — | EP | disclosed |