⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL517100 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL10572428 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL10572422 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL11331271 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL4446041 | 0.76 | — | — | |
| SCHEMBL19279597 | 0.72 | — | — | |
| SCHEMBL36501 | 0.72 | — | — | |
| SCHEMBL10309101 | 0.72 | — | — | |
| SCHEMBL27992237 | 0.70 | TSHR (0.39) | — | |
| SCHEMBL152040 | 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-0713894-B1 | A polylactone having amino groups, a process for the preparation thereof, a compound having amino group, a composition for coatings, a composition for printing inks | DAICEL CHEM (JP) | 2003-05-02 | — | — | EP | disclosed |
| US-6194539-B1 | COLOR HUE; FOR COATINGS AND ULTRAVIOLET RAY CURABLE OR ELECTRON BEAM CURABLE RESINS | DAICEL CHEMICAL INDUSTRIES, INC. (JP) | 2001-02-27 | — | — | US | disclosed |
| EP-0713894-A2 | A polylactone having amino groups, a process for the preparation thereof, a compound having amino group, a composition for coatings, a composition for printing inks | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1996-05-29 | — | — | EP | disclosed |