⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5490909 | 0.67 | — | — | |
| SCHEMBL9453321 | 0.67 | — | — | |
| SCHEMBL11829867 | 0.67 | — | — | |
| SCHEMBL4155558 | 0.67 | — | — | |
| SCHEMBL7390893 | 0.65 | — | — | |
| SCHEMBL8967974 | 0.65 | MAPT (0.50) | — | |
| Bromide SCHEMBL8075029 | 0.64 | GAA (0.47) | — | |
| SCHEMBL8065127 | 0.64 | — | — | |
| SCHEMBL4162167 | 0.63 | — | — | |
| SCHEMBL4162164 | 0.63 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022268933-A1 | (1,4,5-TRISUBSTITUTED-1H-PYRAZOLE-3-YL)OXY-2-ALKOXY ALKYL ACIDS AND THEIR DERIVATIVES, THEIR SALTS AND THEIR USE AS HERBICIDAL AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 2022-12-29 | — | — | WO | disclosed |
| WO-2022084278-A1 | 1-(PYRIDYL)-5-AZINYLPYRAZOLE DERIVATIVES, AND THEIR USE FOR CONTROL OF UNDESIRED PLANT GROWTH | BAYER AKTIENGESELLSCHAFT (DE) | 2022-04-28 | — | — | WO | disclosed |
| EP-3604311-A1 | PYRROLOBENZODIAZEPINE DIMER PRECURSOR AND LIGAND-LINKER CONJUGATE COMPOUND THEREOF | LegoChem Biosciences, Inc. (KR) | 2020-02-05 | — | — | EP | disclosed |
| US-5574169-A | CHOLECYSTOKININ ANTAGONIST | ELI LILLY AND COMPANY (US) | 1996-11-12 | — | — | US | disclosed |
| US-5399708-A | Cholecystokinin and gastrin antagonists; gastrointestinal and central nervous system disorders | ELI LILLY AND COMPANY (US) | 1995-03-21 | — | — | US | disclosed |
| US-4211876-A | PROSTAGLANDIN ANTAGONIST | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1980-07-08 | — | — | US | disclosed |