⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15272648 | 0.74 | TSHR (0.50) | — | |
| SCHEMBL851474 | 0.72 | — | — | |
| SCHEMBL14677762 | 0.72 | — | — | |
| SCHEMBL7525 | 0.72 | — | — | |
| SCHEMBL8749031 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL8835649 | 0.69 | — | — | |
| Iodide SCHEMBL21067021 | 0.69 | — | — | |
| SCHEMBL23732 | 0.69 | — | — | |
| SCHEMBL8852489 | 0.69 | TSHR (0.54) | — | |
| SCHEMBL23116592 | 0.65 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6384026-B1 | Macrocyclic polyamine lactones and derivatives thereof and their use as arthropod repellents | CORNELL RESEARCH FOUNDATION, INC. | 2002-05-07 | — | — | US | disclosed |
| EP-1067921-A4 | MACROCYCLIC POLYAMINE LACTONES AND DERIVATIVES THEREOF AND THEIR USE AS ARTHROPOD REPELLENTS | CORNELL RES FOUNDATION INC (US) | 2001-06-27 | — | — | EP | disclosed |
| EP-1067921-A1 | MACROCYCLIC POLYAMINE LACTONES AND DERIVATIVES THEREOF AND THEIR USE AS ARTHROPOD REPELLENTS | CORNELL RESEARCH FOUNDATION (US) | 2001-01-17 | — | — | EP | disclosed |
| WO-1999051222-A9 | MACROCYCLIC POLYAMINE LACTONES AND DERIVATIVES THEREOF AND THEIR USE AS ARTHROPOD REPELLENTS | CORNELL RES FOUNDATION INC (US) | 1999-12-02 | — | — | WO | disclosed |
| WO-1999051222-A1 | MACROCYCLIC POLYAMINE LACTONES AND DERIVATIVES THEREOF AND THEIR USE AS ARTHROPOD REPELLENTS | CORNELL RESEARCH FOUNDATION, INC. (US) | 1999-10-14 | — | — | WO | disclosed |
| EP-0283309-B1 | 1,2-1,4 Addition reaction sequence leading to diphenylacetylenes | MCNEILAB INC (US) | 1995-02-15 | — | — | EP | disclosed |
| EP-0283309-A2 | 1,2-1,4 Addition reaction sequence leading to diphenylacetylenes | McNeilab, Inc. (US) | 1988-09-21 | — | — | EP | disclosed |
| US-4772755-A | 1,2-1,4 addition reaction sequence leading to disubstituted acelylenes | MCNEILAB, INC. (US) | 1988-09-20 | — | — | US | disclosed |