⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6017535 | 0.84 | — | — | |
| SCHEMBL7545253 | 0.79 | — | — | |
| SCHEMBL17761614 | 0.77 | — | — | |
| SCHEMBL6089362 | 0.71 | — | — | |
| SCHEMBL17616451 | 0.71 | — | — | |
| SCHEMBL3644302 | 0.70 | — | — | |
| SCHEMBL4275452 | 0.69 | — | — | |
| SCHEMBL22563752 | 0.68 | KCNH2 (0.33) | — | |
| SCHEMBL5586089 | 0.68 | — | — | |
| SCHEMBL17974915 | 0.64 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0936207-B1 | Process for the preparation of cyclopropylacetylene derivatives | KURARAY CO (JP) | 2002-06-05 | — | — | EP | disclosed |
| US-6180835-B1 | RETRO-ETHYNYLATION PROCESS OF A CYCLOPROPYLPROPYNOL COMPOUND; PREPARING AN INTERMEDIATE IN SYNTHESIS OF DRUG HAVING ANTI-HIV ACTIVITY | KURARAY CO., LTD. (JP) | 2001-01-30 | — | — | US | disclosed |
| EP-0936207-A2 | Process for the preparation of cyclopropylacetylene derivatives | KURARAY CO., LTD. (JP) | 1999-08-18 | — | — | EP | disclosed |