⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4033322 | 0.80 | CYP3A4 (0.39) | — | |
| SCHEMBL4254567 | 0.75 | — | — | |
| SCHEMBL421928 | 0.74 | — | — | |
| SCHEMBL7359482 | 0.73 | — | — | |
| SCHEMBL557457 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL14040432 | 0.71 | HCAR2 (0.41) | — | |
| SCHEMBL208139 | 0.70 | — | — | |
| SCHEMBL4960693 | 0.69 | — | — | |
| SCHEMBL4644488 | 0.69 | — | — | |
| SCHEMBL28149409 | 0.68 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0711760-B1 | METHOD OF ALKYLATING TRIAZINE DERIVATIVE | NISSAN CHEMICAL IND LTD (JP) | 2002-05-15 | — | — | EP | disclosed |
| EP-0882720-B1 | METHODS FOR MODIFYING 1,3,5-TRIAZINE DERIVATIVES | NISSAN CHEMICAL IND LTD (JP) | 2001-08-22 | — | — | EP | disclosed |
| US-6130332-A | USING A GROUP 8 METAL CATALYST AND ALDEHYDES OR KETONE | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2000-10-10 | — | — | US | disclosed |
| US-6127538-A | HYDROXYALKYLATION OF A TRIAMINO TRIAZINE DERIVATIVE HAVING AT LEAST ONE REACTIVE NITROGEN BY REACTING WHILE HEATING WITH AN ALKANEDIOL OR ITS ADDUCT IN THE PRESENCE OF HYDROGEN AND A METAL CATALYST; BY-PRODUCT INHIBITION | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2000-10-03 | — | — | US | disclosed |
| EP-0882720-A1 | METHODS FOR MODIFYING 1,3,5-TRIAZINE DERIVATIVES | NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) | 1998-12-09 | — | — | EP | disclosed |
| US-5792867-A | Method of alkylating of triazine derivatives | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1998-08-11 | — | — | US | disclosed |
| EP-0760369-A1 | PROCESS FOR ALKYLATING TRIAZINE DERIVATIVE | NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) | 1997-03-05 | — | — | EP | disclosed |
| EP-0711760-A1 | METHOD OF ALKYLATING TRIAZINE DERIVATIVE | NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) | 1996-05-15 | — | — | EP | disclosed |