⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10511347 | 1.00 | — | — | |
| SCHEMBL11656801 | 0.83 | TRPA1 (0.38) | — | |
| SCHEMBL11656800 | 0.83 | TRPA1 (0.38) | — | |
| SCHEMBL6055193 | 0.82 | — | — | |
| SCHEMBL6055197 | 0.82 | — | — | |
| SCHEMBL10454748 | 0.79 | TRPA1 (0.30) | — | |
| SCHEMBL25369845 | 0.74 | — | — | |
| SCHEMBL7046900 | 0.74 | — | — | |
| SCHEMBL7115249 | 0.74 | — | — | |
| SCHEMBL10615526 | 0.74 | TSHR (0.35) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8569560-B2 | Synthesis of terminal alkenes from internal alkenes via olefin metathesis | ELEVANCE RENEWABLE SCIENCES, INC. (US) | 2013-10-29 | — | — | US | disclosed |
| US-20130035532-A1 | SYNTHESIS OF TERMINAL ALKENES FROM INTERNAL ALKENES VIA OLEFIN METATHESIS | Elevance Renewable Sciences. Inc (US) | 2013-02-07 | — | — | US | disclosed |
| EP-1280764-B1 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE INC (CA) | 2010-11-24 | — | — | EP | disclosed |
| EP-2076484-A2 | SYNTHESIS OF TERMINAL ALKENES FROM INTERNAL ALKENES VIA OLEFIN METATHESIS | Elevance Renewable Sciences, Inc. (US) | 2009-07-08 | — | — | EP | disclosed |
| WO-2008068348-A1 | CONTROLLED POLYMERIZATION OF MONOMERS BEARING AN ALPHA,BETA-UNSATURATED GROUP IN THE PRESENCE OF A CARBENE | RHODIA OPERATIONS (FR) | 2008-06-12 | — | — | WO | disclosed |
| WO-2008046106-A2 | SYNTHESIS OF TERMINAL ALKENES FROM INTERNAL ALKENES VIA OLEFIN METATHESIS | ELEVANCE RENEWABLE SCIENCES, INC. (US) | 2008-04-17 | — | — | WO | disclosed |
| EP-0297393-A2 | 1-Phenoxy-3-triazolyl-hex-1-ene-derivatives | BAYER AG (DE) | 1989-01-04 | — | — | EP | disclosed |