⚠ 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 SCHEMBL6264822 | 0.97 | — | — | |
| SCHEMBL15637503 | 0.82 | — | — | |
| SCHEMBL23155063 | 0.82 | OPRM1 (0.43) | — | |
| SCHEMBL14021209 | 0.82 | PLA2G1B (0.37) | — | |
| SCHEMBL16240876 | 0.82 | OPRM1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL6268145 | 0.80 | — | — | |
| SCHEMBL7049167 | 0.79 | PLA2G1B (0.46) | — | |
| SCHEMBL8439924 | 0.79 | ALDH1A1 (0.43) | — | |
| SCHEMBL16236123 | 0.79 | PLA2G1B (0.46) | — | |
| SCHEMBL929270 | 0.79 | PLA2G1B (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1165528-C | Substituted 1,3,5-triazines as herbicides | �ձ��ݶ�ũҩ��ʽ���� | 2004-09-08 | — | — | CN | disclosed |
| CN-1329602-A | Substituted 1,3,5-triazines as herbicides | BAYER AGROCHEM KK (JP) | 2002-01-02 | — | — | CN | disclosed |
| EP-0161218-B1 | BENZO-(PYRANO AND THIOPYRANO)PYRIDINES | CIBA-GEIGY AG (CH) | 1991-06-26 | — | — | EP | disclosed |
| EP-0161218-A2 | Benzo-(pyrano and thiopyrano)pyridines | CIBA-GEIGY AG (CH) | 1985-11-13 | — | — | EP | disclosed |