⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11221714 | 1.00 | — | — | |
| SCHEMBL11150024 | 1.00 | — | — | |
| SCHEMBL11466059 | 0.81 | — | — | |
| SCHEMBL11466058 | 0.81 | — | — | |
| SCHEMBL11218231 | 0.77 | ALOX15 (0.37) | — | |
| SCHEMBL11218236 | 0.77 | ALOX15 (0.37) | — | |
| SCHEMBL11223274 | 0.77 | ALOX15 (0.37) | — | |
| SCHEMBL11009755 | 0.74 | ALOX15 (0.31) | — | |
| SCHEMBL11217094 | 0.73 | — | — | |
| SCHEMBL11007785 | 0.71 | GBA1 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0007142-B1 | NOVEL INTERMEDIATES IN THE PREPARATION OF CYCLOPROPANECARBOXYLATE ESTERS AND PROCESS FOR THEIR MANUFACTURE | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1982-05-12 | — | — | EP | disclosed |
| US-4298757-A | 2-[2-(2,2-Dihalovinyl)-3,3-dimethylcyclopropyl ]vinyl alkanoates | SHELL OIL COMPANY (US) | 1981-11-03 | — | — | US | disclosed |
| US-4234512-A | PYRETHROID PESTICIDE INTERMEDIATES | SHELL OIL COMPANY (US) | 1980-11-18 | — | — | US | disclosed |
| US-4222964-A | 2-(2,2-Dihalovinyl-3,3-dimethylcyclopropyl)ethanal | SHELL OIL COMPANY (US) | 1980-09-16 | — | — | US | disclosed |