⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11427503 | 0.87 | — | — | |
| SCHEMBL11324984 | 0.81 | — | — | |
| SCHEMBL11412708 | 0.81 | — | — | |
| SCHEMBL11423000 | 0.80 | — | — | |
| SCHEMBL11327198 | 0.80 | — | — | |
| SCHEMBL11421134 | 0.79 | HTR2C (0.30) | — | |
| SCHEMBL11329261 | 0.79 | ADORA2A (0.33) | — | |
| SCHEMBL11336188 | 0.77 | ESR1 (0.34) | — | |
| SCHEMBL23403572 | 0.76 | RET (0.31) | — | |
| SCHEMBL11329735 | 0.75 | CNR1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0005240-B1 | N,N-DIMETHYL-O-PYRAZOLYL ESTERS OF CARBAMIC ACID, PROCESS FOR THEIR PREPARATION AND THEIR USE AS INSECTICIDES | BAYER AG (DE) | 1981-04-29 | — | — | EP | disclosed |
| US-4215132-A | Combating arthropods with N,N-dimethyl-O-(3-substituted-pyrazol-5-yl)-carbamic acid esters | BAYER AKTIENGESELLSCHAFT (DE) | 1980-07-29 | — | — | US | disclosed |
| EP-0005240-A2 | N,N-dimethyl-O-pyrazolyl esters of carbamic acid, process for their preparation and their use as insecticides | BAYER AG (DE) | 1979-11-14 | — | — | EP | disclosed |