⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL1022377 | 0.97 | — | — | |
| SCHEMBL3838136 | 0.75 | FBP1 (0.41) | — | |
| Bromide SCHEMBL3840716 | 0.73 | FBP1 (0.39) | — | |
| SCHEMBL72771 | 0.71 | — | — | |
| SCHEMBL3843770 | 0.71 | — | — | |
| Bromide SCHEMBL1124451 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL9636987 | 0.69 | — | — | |
| SCHEMBL30398774 | 0.65 | L3MBTL1 (0.55) | — | |
| SCHEMBL11635621 | 0.64 | — | — | |
| Bromide SCHEMBL8586526 | 0.64 | SLC6A3 (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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10221198-B2 | Preparation and medical use of triazenes | ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) | 2019-03-05 | — | — | US | disclosed |
| US-20170158714-A1 | Preparation and Medical Use of Triazenes | ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) | 2017-06-08 | — | — | US | disclosed |
| WO-2015197096-A1 | PREPARATION AND MEDICAL USE OF TRIAZENES | ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) | 2015-12-30 | — | — | WO | disclosed |
| EP-2164825-B1 | DI(HETERO)ARYLCYCLOHEXANE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | SANOFI SA (FR) | 2014-04-30 | — | — | EP | disclosed |
| CN-101679191-B | Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them | SANOFI AVENTIS SPA | 2014-03-12 | — | — | CN | disclosed |
| WO-2013019849-A2 | SUBSTANTIALLY PURE DISUBSTITUTED BERYLLIUM COMPOUNDS AND USES THEREOF | GRAPHEA, INC. (US) | 2013-02-07 | — | — | WO | disclosed |
| US-8076324-B2 | Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them | SANOFI-AVENTIS (FR) | 2011-12-13 | — | — | US | disclosed |
| US-20100204206-A1 | Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them | SANOFI-AVENTIS (FR) | 2010-08-12 | — | — | US | disclosed |
| EP-2164825-A1 | DI(HETERO)ARYLCYCLOHEXANE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | Sanofi-Aventis (FR) | 2010-03-24 | — | — | EP | disclosed |
| CN-101679191-A | Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them | SANOFI AVENTIS | 2010-03-24 | — | — | CN | disclosed |
| EP-1253152-B1 | METHOD OF CONVERTING FUNCTIONAL GROUP THROUGH HALOGEN-METAL EXCHANGE REACTION | BANYU PHARMA CO LTD (JP) | 2009-11-04 | — | — | EP | disclosed |
| WO-2008148468-A1 | DI(HETERO)ARYLCYCLOHEXANE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | SANOFI-AVENTIS (FR) | 2008-12-11 | — | — | WO | disclosed |
| US-7439535-B2 | Process for exchanging functional groups by halogen-metal exchange reaction | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2008-10-21 | — | — | US | disclosed |
| US-6946559-B2 | Replacing a halogen atom with an electrophilic group (e.g., a formyl group) using either a mixture of an organomagnesium halide and an alkyllithium or a reaction product of the two, such as trialkylmagnesium lithium | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2005-09-20 | — | — | US | disclosed |
| US-20050156336-A1 | Process for exchanging functional groups by halogen-metal exchange reaction | MSD K.K. (JP) | 2005-07-21 | — | — | US | disclosed |
| US-20030130511-A1 | Method of converting functional group through halogen-metal exchange reaction | MSD K.K. (JP) | 2003-07-10 | — | — | US | disclosed |
| EP-1253152-A1 | METHOD OF CONVERTING FUNCTIONAL GROUP THROUGH HALOGEN-METAL EXCHANGE REACTION | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2002-10-30 | — | — | EP | disclosed |
| US-4310674-A | Oxazolidine propionic acid methyl esters | CARTER-WALLACE, INC. (US) | 1982-01-12 | — | — | US | disclosed |
| US-4275198-A | Method for preparing basic dithienyl compounds | CARTER-WALLACE INC. (US) | 1981-06-23 | — | — | US | disclosed |