⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22563752 | 0.87 | KCNH2 (0.33) | — | |
| SCHEMBL7541898 | 0.79 | — | — | |
| SCHEMBL25733484 | 0.74 | — | — | |
| SCHEMBL5586089 | 0.72 | — | — | |
| SCHEMBL9421112 | 0.69 | — | — | |
| SCHEMBL190199 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL3644302 | 0.64 | — | — | |
| SCHEMBL18253212 | 0.63 | — | — | |
| SCHEMBL17036502 | 0.62 | — | — | |
| SCHEMBL417933 | 0.61 | ALDH1A1 (0.41) | — |
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-116284093-A | Alkali promotion system for synthesizing alkenyl borate from propargyl alcohol compound and application of alkali promotion system | 河北科技大学 | 2023-06-23 | — | — | CN | disclosed |
| WO-2014170421-A1 | SERINE/THREONINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-10-23 | — | — | WO | disclosed |
| 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 |