⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10986950 | 1.00 | — | — | |
| SCHEMBL19416869 | 0.81 | — | — | |
| SCHEMBL21573343 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL23137226 | 0.79 | — | — | |
| SCHEMBL13813859 | 0.79 | — | — | |
| SCHEMBL11493463 | 0.76 | — | — | |
| SCHEMBL20842708 | 0.76 | — | — | |
| SCHEMBL18542806 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL10656434 | 0.75 | NPSR1 (0.43) | — | |
| SCHEMBL25012008 | 0.75 | ALDH1A1 (0.32) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4505741-A | Herbicides containing-3-aryl-5-methylpyrazole-4-carboxylic acid esters, their manufacture and use | BASF AKTIENGESELLSCHAFT (DE) | 1985-03-19 | — | — | US | disclosed |
| US-4496391-A | Herbicides containing 3-aryl-5-methylpyrazole-4-carboxylic acid esters, their manufacture and use | BASF AKTIENGESELLSCHAFT (DE) | 1985-01-29 | — | — | US | disclosed |
| US-4401821-A | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1983-08-30 | — | — | US | disclosed |
| US-4038399-A | 1,4-DIHYDROPYRIDINE CARBOXYLIC ACID ESTERS USEFUL AS CORONARY VESSEL DILATORS AND ANTI-HYPERTENSIVES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-07-26 | — | — | US | disclosed |
| US-4031104-A | ANTIHYPERTENSIVE AGENTS | BAYER AKTIENGESELLSCHAFT (DT) | 1977-06-21 | — | — | US | disclosed |
| US-3996234-A | CORONARY VESSEL DILATORS, HYPOTENSIVES | BAYER AKTIENGESELLSCHAFT (DT) | 1976-12-07 | — | — | US | disclosed |
| US-3974275-A | 1,4-Dihydropyridine carboxylic acid esters useful as coronary vessel dilators and anti-hypertensives | BAYER AKTIENGESELLSCHAFT (DT) | 1976-08-10 | — | — | US | disclosed |