⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3953394 | 0.97 | — | — | |
| SCHEMBL994485 | 0.82 | — | — | |
| SCHEMBL6390282 | 0.80 | FDPS (0.38) | — | |
| Ethylenediamine SCHEMBL15122227 | 0.80 | CYP2D6 (0.41) | — | |
| SCHEMBL6130157 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL1956399 | 0.79 | — | — | |
| SCHEMBL919654 | 0.79 | — | — | |
| SCHEMBL6465002 | 0.78 | DNM1 (0.40) | — | |
| SCHEMBL5553535 | 0.75 | — | — | |
| Propylamine SCHEMBL27912341 | 0.75 | CYP2D6 (0.37) | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2571880-A1 | PYRROLO [2, 3 - B]PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-03-27 | — | — | EP | claimed |
| EP-2549991-B1 | FE(III) COMPLEX COMPOUNDS FOR TREATING AND PROPHYLAXIS FOR ANAEMIA SYMPTOMS AND ANAEMIA | VIFOR (INTERNATIONAL) AG (CH) | 2017-11-22 | — | — | EP | disclosed |
| EP-2748173-B1 | CELL PERMEABLE, FLUORESCENT DYE | ECOLE POLYTECH (CH) | 2016-11-23 | — | — | EP | disclosed |
| US-20150266814-A1 | METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID | BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) | 2015-09-24 | — | — | US | disclosed |
| US-20150266814-A1 | METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID | BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) | 2015-09-24 | — | — | US | disclosed |
| US-20150266814-A1 | METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID | BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) | 2015-09-24 | — | — | US | disclosed |
| US-9051248-B2 | Methods, compounds, and compositions for delivering 1,3-propanedisulfonic acid | BHI LIMITED PARTNERSHIP (CA) | 2015-06-09 | — | — | US | disclosed |
| US-9051248-B2 | Methods, compounds, and compositions for delivering 1,3-propanedisulfonic acid | BHI LIMITED PARTNERSHIP (CA) | 2015-06-09 | — | — | US | disclosed |
| US-9051248-B2 | Methods, compounds, and compositions for delivering 1,3-propanedisulfonic acid | BHI LIMITED PARTNERSHIP (CA) | 2015-06-09 | — | — | US | disclosed |
| US-20140155376-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 2014-06-05 | — | — | US | disclosed |
| US-20120208850-A1 | METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID | BELLUS HEALTH INC. (CA) | 2012-08-16 | — | — | US | disclosed |
| EP-2464626-A1 | METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPAN ED ISULFONIC ACID | Bellus Health Inc. (CA) | 2012-06-20 | — | — | EP | disclosed |
| EP-1686113-B1 | Inhibitors of aspartyl protease | VERTEX PHARMA (US) | 2011-11-23 | — | — | EP | disclosed |
| WO-2011017800-A1 | METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPAN ED ISULFONIC ACID | BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) | 2011-02-17 | — | — | WO | disclosed |
| US-20080207617-A1 | Quinoline Derivatives and Quinazoline Derivatives Inhibiting Autophosphrylation of Flt3 and Medicinal Compositions Containing the Same | KIRIN BEER KABUSHIKI KAISHA (JP) | 2008-08-28 | — | — | US | disclosed |
| US-20080207617-A1 | Quinoline Derivatives and Quinazoline Derivatives Inhibiting Autophosphrylation of Flt3 and Medicinal Compositions Containing the Same | KIRIN BEER KABUSHIKI KAISHA (JP) | 2008-08-28 | — | — | US | disclosed |
| US-20030138432-A1 | Selective cellular targeting: multifunctional delivery vehicles, multifunctional prodrugs, use as antineoplastic drugs | DRUG INNOVATION & DESIGN, INC. | 2003-07-24 | — | — | US | disclosed |
| EP-1255567-A1 | SELECTIVE CELLULAR TARGETING: MULTIFUNCTIONAL DELIVERY VEHICLES | Drug Innovation & Design, Inc. (US) | 2002-11-13 | — | — | EP | disclosed |
| US-6441254-B1 | REACTING FORMALDEHYDE AND ALDEHYDE IN PRESENCE OF A NITROGEN BASE TO FORM MIXTURE CONTAINING TRIMETHYLOL COMPOUND AND FORMATE SALT OF NITROGEN BASE; REMOVING TRIMETHYLOL COMPOUND; DISTILLATION OF FORMATE SALTS INTO BASE AND FORMIC ACID | BAYER AKTIENGESELLSCHAFT (DE) | 2002-08-27 | — | — | US | disclosed |
| WO-2001036003-A2 | SELECTIVE CELLULAR TARGETING: MULTIFUNCTIONAL DELIVERY VEHICLES | DRUG INNOVATION & DESIGN, INC. (US) | 2001-05-25 | — | — | WO | disclosed |