⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7867742 | 0.77 | — | — | |
| SCHEMBL1079249 | 0.74 | CA2 (0.40) | — | |
| SCHEMBL2489037 | 0.73 | ALDH1A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL11668105 | 0.72 | CA2 (0.39) | — | |
| SCHEMBL1654109 | 0.70 | — | — | |
| SCHEMBL10832328 | 0.70 | — | — | |
| SCHEMBL8698816 | 0.70 | ALDH1A1 (0.34) | — | |
| SCHEMBL8064454 | 0.70 | MEN1 (0.31) | — | |
| Sulfamate SCHEMBL2209640 | 0.68 | CA2 (0.38) | — | |
| SCHEMBL31467577 | 0.67 | RAB9A (0.46) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8344096-B2 | Phosphorus-containing polycarbonate polyol, method for production thereof, and phosphorus-containing polycarbonate polyurethane | UBE INDUSTRIES, LTD. (JP) | 2013-01-01 | — | — | US | disclosed |
| US-20100197887-A1 | PHOSPHORUS-CONTAINING POLYCARBONATE POLYOL, METHOD FOR PRODUCTION THEREOF, AND PHOSPHORUS-CONTAINING POLYCARBONATE POLYURETHANE | UBE INDUSTRIES, LTD. (JP) | 2010-08-05 | — | — | US | disclosed |
| US-20070155933-A1 | Liquid polyethercarbonatediol compound and thermoplastic polyurethane obtained therefrom | UBE INDUSTRIES, LTD. (JP) | 2007-07-05 | — | — | US | disclosed |
| EP-1707586-A1 | LIQUID POLYETHER CARBONATE DIOL COMPOUND AND THERMOPLASTIC POLYURETHANE OBTAINED THEREFROM | Ube Industries, Ltd. (JP) | 2006-10-04 | — | — | EP | disclosed |