⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11880449 | 1.00 | — | — | |
| SCHEMBL3876163 | 1.00 | — | — | |
| Isothiocyanate SCHEMBL9351709 | 0.89 | — | — | |
| Pyrimidine SCHEMBL9848469 | 0.82 | — | — | |
| SCHEMBL11305352 | 0.78 | — | — | |
| Pyrazine SCHEMBL3273527 | 0.75 | — | — | |
| SCHEMBL13281 | 0.71 | — | — | |
| SCHEMBL15006 | 0.71 | — | — | |
| SCHEMBL21669 | 0.71 | — | — | |
| SCHEMBL4020 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-5301939-A | — | — | None | — | — | JP | disclosed |
| CN-1942454-B | Method for producing 1,3,5-triazine carbamates and ureas | BASF AG | 2014-07-02 | — | — | CN | disclosed |
| US-8471007-B2 | Method for producing 1,3,5-triazine carbamates and ureas | BASF SE (DE) | 2013-06-25 | — | — | US | disclosed |
| US-20120015194-A1 | Method For Producing Carbonitrides by Means of a Polycondensation or Sol-Gel Method Using Hydrogen-Free Isocyanates | MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) | 2012-01-19 | — | — | US | disclosed |
| US-20070196668-A1 | Method For Producing 1,3,5-Triazine Carbamates And Ureas | BASF AKTIENGESELLSCHAFT (DE) | 2007-08-23 | — | — | US | disclosed |
| CN-1942454-A | Method for producing 1,3,5-triazine carbamates and ureas | BASF AG (DE) | 2007-04-04 | — | — | CN | disclosed |
| JP-H05301939-A | BLOCKED ISOCYANATE DISPERSION | KYOKUTO INTERNATL CORP | 1993-11-16 | — | — | JP | disclosed |