⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8262545 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL22575434 | 0.97 | SIGMAR1 (0.43) | — | |
| SCHEMBL31008624 | 0.91 | SIGMAR1 (0.37) | — | |
| SCHEMBL7775148 | 0.86 | TSHR (0.39) | — | |
| SCHEMBL841586 | 0.83 | SIGMAR1 (0.37) | — | |
| SCHEMBL15505245 | 0.83 | SIGMAR1 (0.42) | — | |
| SCHEMBL20902982 | 0.83 | SIGMAR1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL22575458 | 0.83 | TSHR (0.38) | — | |
| SCHEMBL7775232 | 0.83 | CYP2D6 (0.34) | — | |
| SCHEMBL4746205 | 0.83 | TSHR (0.33) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10865163-B2 | Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds | THE UNIVERSITY OF TOLEDO (US) | 2020-12-15 | — | — | US | claimed |
| US-20190185392-A1 | Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds | THE UNIVERSITY OF TOLEDO (US) | 2019-06-20 | — | — | US | claimed |
| EP-3226851-A1 | ARYLALKYLAMINE COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER | Semmelweis University (HU) | 2017-10-11 | — | — | EP | claimed |
| WO-2016088111-A1 | ARYLALKYLAMINE COMPOUNDS FOR USE IN THE PREVENTION OR TREATMENT OF CANCER | SEMMELWEIS UNIVERSITY (HU) | 2016-06-09 | — | — | WO | claimed |
| US-10865163-B2 | Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds | THE UNIVERSITY OF TOLEDO (US) | 2020-12-15 | — | — | US | disclosed |
| US-20190185392-A1 | Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds | THE UNIVERSITY OF TOLEDO (US) | 2019-06-20 | — | — | US | disclosed |
| EP-1773869-B9 | MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR | TRANZYME PHARMA INC (CA) | 2013-01-23 | — | — | EP | disclosed |
| EP-2215075-A1 | QUINOLINONE DERIVATIVES AS PARP INHIBITORS | Janssen Pharmaceutica, N.V. (BE) | 2010-08-11 | — | — | EP | disclosed |
| WO-2009053373-A1 | QUINOLINONE DERIVATIVES AS PARP INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2009-04-30 | — | — | WO | disclosed |
| EP-1984349-A1 | PIPERIDINE DERIVATIVES AS CXCR3 RECEPTOR ANTAGONISTS | Janssen Pharmaceutica, N.V. (BE) | 2008-10-29 | — | — | EP | disclosed |
| WO-2007090826-A1 | PIPERIDINE DERIVATIVES AS CXCR3 RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-08-16 | — | — | WO | disclosed |
| EP-0838508-B1 | Aqueous ink composition for use in an ink-jet printer | SEIKO EPSON CORP (JP) | 2001-08-29 | — | — | EP | disclosed |
| US-5871572-A | COLORANT, WATER, A WATER-SOLUBLE ORGANIC SOLVENT, AND PECTIC ACID | SEIKO EPSON CORPORATION (JP) | 1999-02-16 | — | — | US | disclosed |
| EP-0838508-A2 | Aqueous ink composition for use in an ink-jet printer | SEIKO EPSON CORPORATION (JP) | 1998-04-29 | — | — | EP | disclosed |