⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1690923 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL3861041 | 0.61 | — | — | |
| SCHEMBL11422204 | 0.59 | — | — | |
| SCHEMBL31203085 | 0.29 | — | — | |
| SCHEMBL125053 | 0.29 | — | — | |
| Methane SCHEMBL23044967 | 0.25 | — | — | |
| SCHEMBL6559802 | 0.25 | — | — | |
| SCHEMBL11498741 | 0.25 | — | — | |
| SCHEMBL7642788 | 0.25 | — | — | |
| SCHEMBL20477172 | 0.25 | — | — |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1646584-A1 | REDUCTION OF THE CONCENTRATION OF UNDESIRED COMPOUNDS | Ineos Fluor Holdings Limited (GB) | 2006-04-19 | — | — | EP | claimed |
| WO-2005012178-A1 | REDUCTION OF THE CONCENTRATION OF UNDESIRED COMPOUNDS | INEOS FLUOR HOLDINGS LIMITED (GB) | 2005-02-10 | — | — | WO | claimed |
| EP-1983982-A1 | DRUG COMBINATIONS | BIAL - Portela & Ca., S.A. (PT) | 2008-10-29 | — | — | EP | disclosed |
| EP-1957112-A2 | ROLE OF PROTEOGLYCANS IN DRUG DEPENDENCE | Sanna, Pietro Paolo (US) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007081232-A1 | DRUG COMBINATIONS | BIAL- PORTELA & CA, S.A. (PT) | 2007-07-19 | — | — | WO | disclosed |
| WO-2007062048-A2 | ROLE OF PROTEOGLYCANS IN DRUG DEPENDENCE | SCRIPPS RESEARCH INST (US) | 2007-05-31 | — | — | WO | disclosed |
| EP-1646584-A1 | REDUCTION OF THE CONCENTRATION OF UNDESIRED COMPOUNDS | Ineos Fluor Holdings Limited (GB) | 2006-04-19 | — | — | EP | disclosed |
| EP-1543017-A2 | BIFUNCTIONAL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME | Rib-X Pharmaceuticals, Inc. (US) | 2005-06-22 | — | — | EP | disclosed |
| EP-1507767-A1 | 4-SUBSTITUTED IMIDAZOLE-2-THIONES AND IMIDAZOL-2-ONES AS AGONISTS OF THE ALPHA-2B AND ALPHA-2C ADRENERGIC RECEPTORS | Allergan, Inc. (US) | 2005-02-23 | — | — | EP | disclosed |
| WO-2005012178-A1 | REDUCTION OF THE CONCENTRATION OF UNDESIRED COMPOUNDS | INEOS FLUOR HOLDINGS LIMITED (GB) | 2005-02-10 | — | — | WO | disclosed |
| WO-2004029066-A2 | BIFUNCTIONAL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME | RIB-X PHARMACEUTICALS, INC. (US) | 2004-04-08 | — | — | WO | disclosed |
| US-5719280-A | REACTING AMINE SUBSTITUTED BENZOCYCLOALKANE WITH DIALKYLOXYACETALDEHYDE IN PRESENCE OF REDUCING AGENT OR CATALYTIC HYDROGENATION, TREATING WITH THIOCYANIC ACID | SYNTEX (U.S.A.) INC. (US) | 1998-02-17 | — | — | US | disclosed |
| CN-1151735-A | Benzocycloalkylazolethione derivatives | SYNTEX INC (US) | 1997-06-11 | — | — | CN | disclosed |
| EP-0757677-A1 | BENZOCYCLOALKYLAZOLETHIONE DERIVATIVES | SYNTEX (U.S.A.) INC. (US) | 1997-02-12 | — | — | EP | disclosed |
| EP-0757677-A1 | BENZOCYCLOALKYLAZOLETHIONE DERIVATIVES | SYNTEX (U.S.A.) INC. (US) | 1997-02-12 | — | — | EP | disclosed |
| US-5538988-A | CARDIOVASCULAR DISORDERS AND DOPAMINE HYDROLASE ENZYME INHIBITORS | SYNTEX (U.S.A.) INC. | 1996-07-23 | — | — | US | disclosed |
| US-5538988-A | CARDIOVASCULAR DISORDERS AND DOPAMINE HYDROLASE ENZYME INHIBITORS | SYNTEX (U.S.A.) INC. | 1996-07-23 | — | — | US | disclosed |
| WO-1995029165-A3 | BENZOCYCLOALKYLAZ0LETHIONE DERIVATIVES AS DOPAMIN BETA-HYDROXYLASE INHIBITORS | SYNTEX INC (US) | 1995-12-07 | — | — | WO | disclosed |
| WO-1995029165-A2 | BENZOCYCLOALKYLAZ0LETHIONE DERIVATIVES AS DOPAMIN BETA-HYDROXYLASE INHIBITORS | SYNTEX (U.S.A.) INC. (US) | 1995-11-02 | — | — | WO | disclosed |
| WO-1995029165-A2 | BENZOCYCLOALKYLAZ0LETHIONE DERIVATIVES AS DOPAMIN BETA-HYDROXYLASE INHIBITORS | SYNTEX (U.S.A.) INC. (US) | 1995-11-02 | — | — | WO | disclosed |