⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL944820 | 1.00 | — | — | |
| SCHEMBL945811 | 1.00 | — | — | |
| SCHEMBL11424714 | 0.73 | TRPA1 (0.56) | — | |
| Isopropyl Isothiocyanate SCHEMBL213474 | 0.72 | — | — | |
| SCHEMBL18245075 | 0.72 | TRPA1 (0.30) | — | |
| SCHEMBL2134253 | 0.72 | — | — | |
| SCHEMBL23792458 | 0.71 | — | — | |
| SCHEMBL5869061 | 0.71 | TRPA1 (0.46) | — | |
| SCHEMBL11414733 | 0.71 | — | — | |
| SCHEMBL28220625 | 0.69 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107698748-A | A kind of dynamic aggregation thing of hybrid cross-linked network and its application | 翁秋梅 | 2018-02-16 | — | — | CN | disclosed |
| CN-107556450-A | A kind of dynamic aggregation thing and application with hybrid cross-linked network | 翁秋梅 | 2018-01-09 | — | — | CN | disclosed |
| WO-2014179765-A2 | NOVEL HUMAN MIRNAS FOR USE IN DIAGNOSIS, PROGNOSIS AND THERAPY OF HUMAN CONDITIONS AND DISEASES | THOMAS JEFFERSON UNIVERSITY (US) | 2014-11-06 | — | — | WO | disclosed |
| US-8865753-B2 | Compounds as cannabinoid receptor ligands | ABBVIE INC. (US) | 2014-10-21 | — | — | US | disclosed |
| US-20110086832-A1 | NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS | ABBOTT LABORATORIES (US) | 2011-04-14 | — | — | US | disclosed |
| US-7875640-B2 | N-[(2Z)-3-butyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-5-chloro-N',2-dimethoxybenzenecarboximidamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants | ABBOTT LABORATORIES (US) | 2011-01-25 | — | — | US | disclosed |
| CN-101765594-A | 1,3-thiazoles-2 (3H)-ylidene compounds as cannabinoid receptor ligand | ABBOTT LAB | 2010-06-30 | — | — | CN | disclosed |
| EP-2142522-A1 | 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS | Abbott Laboratories (US) | 2010-01-13 | — | — | EP | disclosed |
| WO-2008121558-A1 | 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS | ABBOTT LABORATORIES (US) | 2008-10-09 | — | — | WO | disclosed |
| US-20080242654-A1 | N-[(2Z)-3-butyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-5-chloro-N',2-dimethoxybenzenecarboximidamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants | ABBOTT LABORATORIES (US) | 2008-10-02 | — | — | US | disclosed |
| CN-1081633-C | 1,2, 4-benzothiadiazine derivatives, method for preparing same and use thereof | NOVO NORDISK AS (DK) | 2002-03-27 | — | — | CN | disclosed |
| US-6242443-B1 | 1,2,4-benzothiadiazine derivatives, their preparation and use | NOVO NORDISK AIS (DK) | 2001-06-05 | — | — | US | disclosed |
| CN-1222910-A | 1,2, 4-benzothiadiazine derivatives, method for preparing same and use thereof | NOVO NORDISK AS (DK) | 1999-07-14 | — | — | CN | disclosed |
| EP-0906297-A1 | 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE | NOVO NORDISK A/S (DK) | 1999-04-07 | — | — | EP | disclosed |
| WO-1997049692-A1 | 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE | NOVO NORDISK A/S (DK) | 1997-12-31 | — | — | WO | disclosed |
| US-4194008-A | INSECTICIDE, FUNGICIDE, MITICIDE, PARASITICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1980-03-18 | — | — | US | disclosed |