⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11306591 | 0.85 | — | — | |
| SCHEMBL28131419 | 0.82 | — | — | |
| SCHEMBL5586687 | 0.75 | — | — | |
| SCHEMBL128859 | 0.75 | — | — | |
| SCHEMBL3166927 | 0.72 | — | — | |
| SCHEMBL5736309 | 0.72 | — | — | |
| Acetone SCHEMBL28224009 | 0.70 | — | — | |
| SCHEMBL3834760 | 0.67 | — | — | |
| Formaldehyde SCHEMBL29224627 | 0.67 | — | — | |
| Formaldehyde SCHEMBL2912307 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117836995-A | Nonaqueous electrolyte and nonaqueous electrolyte secondary battery | 信越化学工业株式会社 | 2024-04-05 | — | — | CN | disclosed |
| EP-0002850-B1 | NOVEL INTERMEDIATES IN THE PREPARATION OF CYCLOPROPYLCARBOXYLATE ESTERS AND PROCESS FOR THEIR MANUFACTURE | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1982-02-17 | — | — | EP | disclosed |
| US-4230891-A | INTERMEDIATES FOR PESTICIDES | SHELL OIL COMPANY (US) | 1980-10-28 | — | — | US | disclosed |
| US-4230891-A | INTERMEDIATES FOR PESTICIDES | SHELL OIL COMPANY (US) | 1980-10-28 | — | — | US | disclosed |
| EP-0002850-A1 | Novel intermediates in the preparation of cyclopropylcarboxylate esters and process for their manufacture | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1979-07-11 | — | — | EP | disclosed |