⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1668241 | 0.80 | ACHE (0.35) | — | |
| SCHEMBL3418296 | 0.80 | TP53 (0.35) | — | |
| SCHEMBL3415271 | 0.77 | LMNA (0.31) | — | |
| SCHEMBL1741487 | 0.77 | ALDH1A1 (0.40) | — | |
| SCHEMBL29388180 | 0.77 | ALDH1A1 (0.40) | — | |
| SCHEMBL3420843 | 0.76 | LMNA (0.30) | — | |
| SCHEMBL3421206 | 0.76 | AR (0.40) | — | |
| SCHEMBL3416065 | 0.76 | ESR1 (0.33) | — | |
| SCHEMBL1741610 | 0.76 | ALOX15 (0.42) | — | |
| SCHEMBL3418031 | 0.75 | CA2 (0.40) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2597114-B1 | Organic-inorganic composite materials containing triazine rings and electrical devices using the same | HITACHI LTD (JP) | 2017-03-15 | — | — | EP | disclosed |
| US-9090796-B2 | Organic-inorganic composite materials containing triazine rings and electrical devices using the same | HITACHI, LTD. (JP) | 2015-07-28 | — | — | US | disclosed |
| EP-2597114-A1 | Organic-inorganic composite materials containing triazine rings and electrical devices using the same | Hitachi Ltd. (JP) | 2013-05-29 | — | — | EP | disclosed |
| US-20130131248-A1 | ORGANIC-INORGANIC COMPOSITE MATERIALS CONTAINING TRIAZINE RINGS AND ELECTRICAL DEVICES USING THE SAME | HITACHI, LTD. (JP) | 2013-05-23 | — | — | US | disclosed |
| US-7767739-B2 | Cyanato group-containing cyclic phosphazene compound and method for producing the same | FUSHIMI PHARMACEUTICAL CO., LTD. (JP) | 2010-08-03 | — | — | US | disclosed |
| US-20090170983-A1 | Cyanato Group-Containing Cyclic Phosphazene Compound and Method for Producing The Same | FUSHIMI PHARMACEUTICAL CO., LTD. (JP) | 2009-07-02 | — | — | US | disclosed |
| US-6225492-B1 | CONTACTING CYANATE CRUDE PRODUCT SOLUTION COMPRISING CYANATE, UNSUBSTITUTED PHENOL AND NON-ALCOHOLIC SOLVENT WITH POOR SOLVENT CONTAINING ALCOHOL AND WATER TO CRYSTALLIZE OR PRECIPITATE SAID CYANATE | SUMITOMO CHEMICAL CO., LTD. (JP) | 2001-05-01 | — | — | US | disclosed |