⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL25257660 | 0.97 | — | — | |
| SCHEMBL1392324 | 0.74 | — | — | |
| SCHEMBL7770477 | 0.74 | — | — | |
| SCHEMBL3503633 | 0.72 | — | — | |
| SCHEMBL6663492 | 0.72 | — | — | |
| SCHEMBL1745100 | 0.72 | — | — | |
| SCHEMBL17816366 | 0.72 | — | — | |
| SCHEMBL9070722 | 0.72 | — | — | |
| SCHEMBL7874059 | 0.72 | — | — | |
| SCHEMBL8311393 | 0.72 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2090570-B1 | IMIDAZOLE DERIVATIVE | KYOWA HAKKO KIRIN CO LTD (JP) | 2011-11-09 | — | — | EP | disclosed |
| EP-2090570-A1 | IMIDAZOLE DERIVATIVE | Kyowa Hakko Kirin Co., Ltd. (JP) | 2009-08-19 | — | — | EP | disclosed |
| EP-0882720-B1 | METHODS FOR MODIFYING 1,3,5-TRIAZINE DERIVATIVES | NISSAN CHEMICAL IND LTD (JP) | 2001-08-22 | — | — | EP | 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 |