⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7988566 | 0.77 | — | — | |
| SCHEMBL6355869 | 0.73 | — | — | |
| SCHEMBL6426266 | 0.73 | — | — | |
| SCHEMBL4913990 | 0.71 | ALDH1A1 (0.52) | — | |
| SCHEMBL1170405 | 0.71 | — | — | |
| SCHEMBL9452624 | 0.71 | — | — | |
| SCHEMBL11086030 | 0.69 | — | — | |
| SCHEMBL267194 | 0.69 | — | — | |
| SCHEMBL9937817 | 0.69 | — | — | |
| Propane SCHEMBL11318156 | 0.67 | — | — |
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 4 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 |
| US-6288061-B1 | INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS | WELFIDE CORPORATION (JP) | 2001-09-11 | — | — | US | disclosed |
| US-5792867-A | Method of alkylating of triazine derivatives | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1998-08-11 | — | — | US | disclosed |
| EP-0711760-A1 | METHOD OF ALKYLATING TRIAZINE DERIVATIVE | NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) | 1996-05-15 | — | — | EP | disclosed |