⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4700462 | 0.78 | — | — | |
| SCHEMBL28591345 | 0.76 | SMN1; SMN2 (0.55) | — | |
| SCHEMBL11825862 | 0.76 | — | — | |
| SCHEMBL2106410 | 0.74 | — | — | |
| SCHEMBL4561284 | 0.74 | — | — | |
| SCHEMBL8952188 | 0.74 | — | — | |
| SCHEMBL7114713 | 0.74 | — | — | |
| SCHEMBL2760495 | 0.74 | MAPT (0.62) | — | |
| SCHEMBL15528272 | 0.74 | SMN1; SMN2 (0.49) | — | |
| Hydrochloric Acid SCHEMBL6850119 | 0.72 | ALDH1A1 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5545608-A | EFFECTIVE AGAINST PADDY WEEDS WHILE SAFE FOR RICE PLANTS | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1996-08-13 | — | — | US | disclosed |
| EP-0638555-A1 | PYRAZOLEGLYCOLAMIDE DERIVATIVE | NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) | 1995-02-15 | — | — | EP | disclosed |
| CN-1077450-A | PYRAZOLE GLYCOLLIC ACID DERIVATIVES | NISSAN CHEMICAL IND LTD (JP) | 1993-10-20 | — | — | CN | disclosed |
| CN-1072177-A | The preparation method of pyrazole glycollic acid derivatives | NISSAN CHEMICAL IND LTD (JP) | 1993-05-19 | — | — | CN | disclosed |