⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6678620 | 1.00 | — | — | |
| SCHEMBL6678622 | 1.00 | — | — | |
| SCHEMBL2567417 | 0.83 | — | — | |
| SCHEMBL1661277 | 0.83 | — | — | |
| SCHEMBL17732217 | 0.83 | — | — | |
| SCHEMBL9148718 | 0.81 | — | — | |
| SCHEMBL9148725 | 0.81 | — | — | |
| SCHEMBL7858341 | 0.77 | CYP1A2 (0.33) | — | |
| SCHEMBL7858344 | 0.77 | CYP1A2 (0.33) | — | |
| SCHEMBL7858338 | 0.77 | CYP1A2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6297410-B1 | 1-BROMO-2-CYCLOPROPYLETHYLENE WHICH MAY BE EFFICIENTLY DEHYDROHALOGENATED TO YIELD CYCLOPROPYLACETYLENE, THE CHEMICAL INTERMEDIATE FOR AN HIV REVERSE TRANSCRIPTASE INHIBITOR | DUPONT PHARMACEUTICALS COMPANY | 2001-10-02 | — | — | US | disclosed |
| EP-1000001-A1 | A PROCESS FOR THE PREPARATION OF CYCLOPROPYLACETYLENE | Dupont Pharmaceuticals Company (US) | 2000-05-17 | — | — | EP | disclosed |
| US-6049019-A | Process for the preparation of cyclopropylacetylene | DUPONT PHARMACEUTICALS (US) | 2000-04-11 | — | — | US | disclosed |
| WO-1999006341-A1 | A PROCESS FOR THE PREPARATION OF CYCLOPROPYLACETYLENE | DUPONT PHARMACEUTICALS COMPANY (US) | 1999-02-11 | — | — | WO | disclosed |