⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8829590 | 0.78 | — | — | |
| SCHEMBL17318154 | 0.78 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL2094349 | 0.77 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL2811725 | 0.75 | CYP3A4 (0.30) | — | |
| SCHEMBL31491131 | 0.73 | KMT2A (0.36) | — | |
| SCHEMBL2812943 | 0.72 | TLR2 (0.32) | — | |
| SCHEMBL2809432 | 0.72 | IRAK4 (0.42) | — | |
| SCHEMBL2812149 | 0.72 | CA12 (0.32) | — | |
| SCHEMBL2095272 | 0.72 | ALDH1A1 (0.42) | — | |
| SCHEMBL2809588 | 0.71 | IDO1 (0.33) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120209007-A9 | TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2012-08-16 | — | — | US | disclosed |
| US-20110319629-A1 | TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2011-12-29 | — | — | US | disclosed |
| EP-2396289-A1 | TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES | Agency For Science, Technology And Research (SG) | 2011-12-21 | — | — | EP | disclosed |
| US-20100249443-A1 | TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2010-09-30 | — | — | US | disclosed |
| WO-2010093336-A1 | TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2010-08-19 | — | — | WO | disclosed |
| WO-2010093327-A1 | TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2010-08-19 | — | — | WO | disclosed |
| US-20100185000-A1 | TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2010-07-22 | — | — | US | disclosed |
| US-20100179343-A1 | METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2010-07-15 | — | — | US | disclosed |
| US-7732544-B2 | Titanium compound and process for producing optically active cyanohydrins | MITSUI CHEMICALS, INC. (JP) | 2010-06-08 | — | — | US | disclosed |
| EP-2190851-A1 | TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES | Agency for Science, Technology and Research (SG) | 2010-06-02 | — | — | EP | disclosed |
| EP-2137197-A1 | TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES | Agency for Science, Technology And Research (SG) | 2009-12-30 | — | — | EP | disclosed |
| EP-1806336-B1 | TITANIUM COMPOUND AND METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRINS | MITSUI CHEMICALS INC (JP) | 2009-09-30 | — | — | EP | disclosed |
| WO-2009041919-A1 | TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2009-04-02 | — | — | WO | disclosed |
| WO-2008121074-A1 | METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2008-10-09 | — | — | WO | disclosed |
| WO-2008121076-A1 | TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2008-10-09 | — | — | WO | disclosed |
| US-20070265463-A1 | Titanium Compound and Process for Producing Optically Active Cyanohydrins | MITSUI CHEMICALS, INC. (JP) | 2007-11-15 | — | — | US | disclosed |
| EP-1806336-A1 | TITANIUM COMPOUND AND METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRINS | Mitsui Chemicals, Inc. (JP) | 2007-07-11 | — | — | EP | disclosed |