⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6060157 | 0.86 | — | — | |
| SCHEMBL3898122 | 0.76 | — | — | |
| SCHEMBL27343568 | 0.73 | — | — | |
| SCHEMBL1978922 | 0.71 | ALDH1A1 (0.50) | — | |
| SCHEMBL7523932 | 0.71 | — | — | |
| SCHEMBL7520542 | 0.71 | — | — | |
| SCHEMBL7520553 | 0.71 | — | — | |
| SCHEMBL8026261 | 0.70 | — | — | |
| SCHEMBL1567633 | 0.70 | — | — | |
| SCHEMBL17396682 | 0.70 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1171421-B1 | PROCESS FOR THE PREPARATION OF CYCLOPROPYLACETONITRILE | EASTMAN CHEM CO (US) | 2004-09-29 | — | — | EP | claimed |
| JP-2002542226-A | — | — | 2002-12-10 | — | — | JP | claimed |
| EP-1171421-A1 | PROCESS FOR THE PREPARATION OF CYCLOPROPYLACETONITRILE | EASTMAN CHEMICAL COMPANY (US) | 2002-01-16 | — | — | EP | claimed |
| US-6191300-B1 | REACTING A MIXTURE OF CYCLOPROPYLMETHYL HALIDE, A CYCLOBUTYL HALIDE AND A 4-HALO-1-BUTENE WITH AN ALKALI METAL CYANIDE; RECOVERY OF SUBSTANTIALLY PURE CYCLOPROPYLACETONITRILE AND CYCLOBUTYL HALIDE, EACH HAVING A PURITY >95% | EASTMAN CHEMICAL COMPANY | 2001-02-20 | — | — | US | claimed |
| WO-2000063163-A1 | PROCESS FOR THE PREPARATION OF CYCLOPROPYLACETONITRILE | EASTMAN CHEMICAL COMPANY (US) | 2000-10-26 | — | — | WO | claimed |
| EP-1171421-B1 | PROCESS FOR THE PREPARATION OF CYCLOPROPYLACETONITRILE | EASTMAN CHEM CO (US) | 2004-09-29 | — | — | EP | disclosed |
| EP-1430933-A2 | Cosmetic and pharmaceutical compositions comprising steroid sulfatase inhibitors and their use for the reduction of hair loss | Henkel Kommanditgesellschaft auf Aktien (DE) | 2004-06-23 | — | — | EP | disclosed |
| EP-1171421-A1 | PROCESS FOR THE PREPARATION OF CYCLOPROPYLACETONITRILE | EASTMAN CHEMICAL COMPANY (US) | 2002-01-16 | — | — | EP | disclosed |
| US-6191300-B1 | REACTING A MIXTURE OF CYCLOPROPYLMETHYL HALIDE, A CYCLOBUTYL HALIDE AND A 4-HALO-1-BUTENE WITH AN ALKALI METAL CYANIDE; RECOVERY OF SUBSTANTIALLY PURE CYCLOPROPYLACETONITRILE AND CYCLOBUTYL HALIDE, EACH HAVING A PURITY >95% | EASTMAN CHEMICAL COMPANY | 2001-02-20 | — | — | US | disclosed |
| WO-2000063163-A1 | PROCESS FOR THE PREPARATION OF CYCLOPROPYLACETONITRILE | EASTMAN CHEMICAL COMPANY (US) | 2000-10-26 | — | — | WO | disclosed |