⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7753271 | 0.88 | TRPA1 (0.45) | — | |
| SCHEMBL27521725 | 0.84 | TRPA1 (0.48) | — | |
| SCHEMBL18581783 | 0.84 | TRPA1 (0.48) | — | |
| SCHEMBL27593695 | 0.84 | TRPA1 (0.48) | — | |
| SCHEMBL27593694 | 0.84 | TRPA1 (0.48) | — | |
| SCHEMBL27575394 | 0.84 | TRPA1 (0.48) | — | |
| SCHEMBL27603964 | 0.77 | — | — | |
| SCHEMBL14489602 | 0.75 | — | — | |
| SCHEMBL2040306 | 0.72 | — | — | |
| SCHEMBL25333148 | 0.70 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2661266-B1 | CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES | ANJI PHARMA (US) LLC (US) | 2020-09-16 | — | — | EP | disclosed |
| EP-2421524-B1 | CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES | ELCELYX THERAPEUTICS INC (US) | 2018-08-08 | — | — | EP | disclosed |
| EP-2421524-A2 | CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES | Elcelyx Therapeutics, Inc. (US) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010123930-A2 | CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES | ELCELYX THERAPEUTICS, INC. (US) | 2010-10-28 | — | — | WO | disclosed |
| EP-1069819-A1 | METHOD FOR SELECTIVE INCREASE OF THE ANTICARCINOGENIC GLUCOSINOLATES IN $i(BRASSICA SP.) | Plant Bioscience Limited (GB) | 2001-01-24 | — | — | EP | disclosed |
| WO-1999052345-A1 | METHOD FOR SELECTIVE INCREASE OF THE ANTICARCINOGENIC GLUCOSINOLATES IN $i(BRASSICA SP.) | PLANT BIOSCIENCE LIMITED (GB) | 1999-10-21 | — | — | WO | disclosed |