⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5123285 | 0.84 | HCAR2 (0.61) | — | |
| SCHEMBL12259105 | 0.84 | HCAR2 (0.61) | — | |
| SCHEMBL8998064 | 0.82 | HCAR2 (0.55) | — | |
| SCHEMBL167265 | 0.82 | HCAR2 (0.56) | — | |
| SCHEMBL4134834 | 0.80 | — | — | |
| Acrylic Acid Ethyl Ester SCHEMBL11239775 | 0.79 | TSHR (0.52) | — | |
| SCHEMBL8998101 | 0.79 | ATM (0.67) | — | |
| Diethyl Maleate SCHEMBL7903198 | 0.77 | HCAR2 (0.65) | — | |
| Diethyl Maleate SCHEMBL5608030 | 0.77 | HCAR2 (0.73) | — | |
| Diethyl Maleate SCHEMBL20561650 | 0.77 | HCAR2 (0.73) | — |
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-20200275660-A1 | TETRAZOLYLPROPYL DERIVATIVES AND THEIR USE AS FUNGICIDES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2020-09-03 | — | — | US | disclosed |
| EP-3655402-A1 | SUBSTITUTED 3-HETEROARYLOXY-1H-PYRAZOLES AND SALTS THEREOF AND THEIR USE AS HERBICIDAL ACTIVE SUBSTANCES | Bayer CropScience Aktiengesellschaft (DE) | 2020-05-27 | — | — | EP | disclosed |
| EP-0496347-B1 | Methods of preparing fluorobenzene derivatives and related compounds | SAGAMI CHEM RES (JP) | 1996-09-04 | — | — | EP | disclosed |
| US-5391807-A | Methods of preparing fluorobenzene derivatives and related compounds | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1995-02-21 | — | — | US | disclosed |
| US-5344953-A | Fluorobenzene derivatives | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1994-09-06 | — | — | US | disclosed |
| US-5281742-A | Bis(fluorophenyl) carbonate derivatives | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1994-01-25 | — | — | US | disclosed |
| EP-0496347-A2 | Methods of preparing fluorobenzene derivatives and related compounds | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1992-07-29 | — | — | EP | disclosed |