⚠ 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 | |
|---|---|---|---|---|
| Allyl Isothiocyanate SCHEMBL900655 | 0.92 | TRPA1 (1.00) | — | |
| Allyl Isothiocyanate SCHEMBL41581 | 0.92 | — | — | |
| Allyl Isothiocyanate SCHEMBL29036465 | 0.89 | — | — | |
| Allyl Isothiocyanate SCHEMBL30306280 | 0.89 | — | — | |
| Allyl Isothiocyanate SCHEMBL9446554 | 0.89 | — | — | |
| Allyl Isothiocyanate SCHEMBL9446558 | 0.89 | — | — | |
| Allyl Isothiocyanate SCHEMBL1091916 | 0.86 | — | — | |
| Allyl Isothiocyanate SCHEMBL27597400 | 0.84 | TRPA1 (0.84) | — | |
| Allyl Isothiocyanate SCHEMBL27577150 | 0.83 | TRPA1 (0.73) | — | |
| Allyl Isothiocyanate SCHEMBL6049850 | 0.82 | TRPA1 (0.80) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2661266-A2 | CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES | Elcelyx Therapeutics, Inc. (US) | 2013-11-13 | — | — | EP | disclosed |
| WO-2013158928-A2 | CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES | ELCELYX THERAPEUTICS, INC. (US) | 2013-10-24 | — | — | WO | disclosed |
| EP-2629773-A2 | CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES | Elcelyx Therapeutics, Inc. (US) | 2013-08-28 | — | — | EP | disclosed |
| EP-2629774-A2 | CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES | Elcelyx Therapeutics, Inc. (US) | 2013-08-28 | — | — | EP | disclosed |
| EP-2629609-A2 | CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES | Elcelyx Therapeutics, Inc. (US) | 2013-08-28 | — | — | EP | disclosed |
| EP-2629617-A2 | CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES | Elcelyx Therapeutics, Inc. (US) | 2013-08-28 | — | — | EP | disclosed |
| EP-2560660-A1 | CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES | Elcelyx Therapeutics, Inc (US) | 2013-02-27 | — | — | EP | disclosed |
| WO-2012094636-A2 | CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES | ELCELYX THERAPEUTICS, INC. (US) | 2012-07-12 | — | — | WO | disclosed |
| WO-2012054526-A2 | CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES | ELCELYX THERAPEUTICS, INC. (US) | 2012-04-26 | — | — | WO | disclosed |
| WO-2012054530-A2 | CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES | ELCELYX THERAPEUTICS, INC. (US) | 2012-04-26 | — | — | WO | disclosed |
| WO-2012054528-A2 | CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES | ELCELYX THERAPEUTICS, INC. (US) | 2012-04-26 | — | — | WO | disclosed |
| WO-2012054527-A2 | CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES | ELCELYX THERAPEUTICS, INC. (US) | 2012-04-26 | — | — | WO | disclosed |
| EP-2421524-A2 | CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES | Elcelyx Therapeutics, Inc. (US) | 2012-02-29 | — | — | EP | disclosed |
| WO-2011133180-A1 | CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES | ELCELYX THERAPEUTICS, INC (US) | 2011-10-27 | — | — | WO | disclosed |
| WO-2010123930-A2 | CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES | ELCELYX THERAPEUTICS, INC. (US) | 2010-10-28 | — | — | WO | disclosed |