⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL407367 | 0.82 | DHFR (0.39) | — | |
| SCHEMBL9144039 | 0.76 | ALDH1A1 (0.52) | — | |
| SCHEMBL12869579 | 0.72 | KDM4E (0.34) | — | |
| SCHEMBL12752348 | 0.72 | GRM5 (0.34) | — | |
| SCHEMBL9142784 | 0.71 | PTGS2 (0.57) | — | |
| SCHEMBL12374395 | 0.67 | ALDH1A1 (0.50) | — | |
| SCHEMBL4890253 | 0.67 | IDO1 (0.46) | — | |
| SCHEMBL3890376 | 0.67 | TAAR1 (0.42) | — | |
| SCHEMBL5452057 | 0.67 | TAAR1 (0.50) | — | |
| SCHEMBL12445232 | 0.63 | ALDH1A1 (0.50) | — |
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 10 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 |
| EP-1806378-B1 | Polythiourethane | UBE INDUSTRIES (JP) | 2011-10-12 | — | — | EP | disclosed |
| EP-1743912-B1 | POLYTHIOURETHANE | UBE INDUSTRIES (JP) | 2011-03-09 | — | — | EP | 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-7544761-B2 | Polythiourethane | UBE INDUSTRIES, LTD. (JP) | 2009-06-09 | — | — | US | disclosed |
| US-7385022-B2 | Polythiocarbonate polythiol | UBE INDUSTRIES, LTD. (JP) | 2008-06-10 | — | — | US | disclosed |
| US-20080058477-A1 | having a high refractive index and low dispersion which is obtained through a reaction between a polythiol component containing one or more polythiocarbonate polythiol and a polyisocyanate component containing a polyisocyanate and/or a polyisothiocyanate | UBE INDUSTRIES, LTD. A CORPORATION 1978-96 (JP) | 2008-03-06 | — | — | US | disclosed |
| EP-1806378-A2 | Polythiourethane | Ube Industries, Ltd. (JP) | 2007-07-11 | — | — | EP | disclosed |
| US-20070129530-A1 | Polythiocarbonate polythiol | UBE INDUSTRIES, LTD. A CORPORATION OF JAPAN (JP) | 2007-06-07 | — | — | US | disclosed |
| EP-1743912-A1 | POLYTHIOURETHANE | Ube Industries, Ltd. (JP) | 2007-01-17 | — | — | EP | disclosed |