⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6888207 | 0.75 | CA1 (0.43) | — | |
| SCHEMBL48217 | 0.73 | — | — | |
| SCHEMBL22793379 | 0.73 | — | — | |
| SCHEMBL10850337 | 0.72 | — | — | |
| SCHEMBL27816215 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL8888872 | 0.70 | — | — | |
| SCHEMBL875900 | 0.70 | KDM4E (0.42) | — | |
| SCHEMBL9186647 | 0.70 | KDM4E (0.42) | — | |
| SCHEMBL8539785 | 0.67 | CA1 (0.44) | — | |
| SCHEMBL3278827 | 0.67 | — | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2874994-B1 | 3,5,N-TRIHYDROXY-ALKANAMIDE AND DERIVATIVES: METHOD FOR MAKING SAME AND USE THEREOF | ACADEMIA SINICA (TW) | 2020-01-08 | — | — | EP | disclosed |
| EP-2991635-B1 | NEUROGENESIS-STIMULATING ISOQUINOLINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2017-04-12 | — | — | EP | disclosed |
| US-9586903-B2 | Isoquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2017-03-07 | — | — | US | disclosed |
| EP-2500178-B1 | Reversible thermosensitive recording medium and reversible thermosensitive recording member | RICOH CO LTD (JP) | 2016-05-18 | — | — | EP | disclosed |
| EP-2991635-A1 | NEUROGENESIS-STIMULATING ISOQUINOLINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2016-03-09 | — | — | EP | disclosed |
| US-20160046583-A1 | ISOQUINOLINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2016-02-18 | — | — | US | disclosed |
| CN-105163727-A | Neurogenesis-stimulating isoquinoline derivatives | HOFFMANN LA ROCHE | 2015-12-16 | — | — | CN | disclosed |
| WO-2014177596-A1 | NEUROGENESIS-STIMULATING ISOQUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-11-06 | — | — | WO | disclosed |
| CN-100357290-C | Insecticidal 3- (substituted phenyl) -5- (thienyl or furyl) -1, 2, 4-triazoles | DOW AGROSCIENCES LLC (US) | 2007-12-26 | — | — | CN | disclosed |
| CN-1318402-C | Pyrrolidine-2-carboxylic acid hydrozide derivatives for use as metalloprotease inhibitors | HOFFMANN LA ROCHE (CH) | 2007-05-30 | — | — | CN | disclosed |
| CN-1124846-C | N, N' -bis (sulfonyl) hydrazines as antitumor agents | UNIV YALE (US) | 2003-10-22 | — | — | CN | disclosed |
| CN-1443163-A | Pyrrolidine-2-carboxylic acid hydrazide derivatives as metalloproteinase inhibitors | HOFFMANN LA ROCHE (CH) | 2003-09-17 | — | — | CN | disclosed |
| EP-0922043-B1 | PESTICIDAL 3-(SUBSTITUTED PHENYL)-5-(THIENYL OR FURYL)-1,2,4-TRIAZOLES | DOW AGROSCIENCES LLC (US) | 2002-01-30 | — | — | EP | disclosed |
| US-6262305-B1 | Process and intermediates for preparing 3-(substituted phenyl)-5-(thienyl or furyl)-1,2,4-triazole compounds | DOW AGROSCIENCES LLC | 2001-07-17 | — | — | US | disclosed |
| CN-1278169-A | N, N' -bis (sulfonyl) hydrazines as antitumor agents | UNIV YALE (US) | 2000-12-27 | — | — | CN | disclosed |
| US-6015826-A | INSECTICIDES, APHIDICIDES, AND MITICIDES | DOW AGROSCIENCES LLC | 2000-01-18 | — | — | US | disclosed |
| CN-1228089-A | Insecticidal 3- (substituted phenyl) -5- (thienyl or furyl) -1, 2, 4-triazoles | DOW AGROSCIENCES LLC (US) | 1999-09-08 | — | — | CN | disclosed |
| EP-0922043-A1 | PESTICIDAL 3-(SUBSTITUTED PHENYL)-5-(THIENYL OR FURYL)-1,2,4-TRIAZOLES | Dow AgroSciences LLC (US) | 1999-06-16 | — | — | EP | disclosed |
| WO-1998047894-A1 | PESTICIDAL 3-(SUBSTITUTED PHENYL)-5-(THIENYL OR FURYL)-1,2,4-TRIAZOLES | DOW AGROSCIENCES LLC (US) | 1998-10-29 | — | — | WO | disclosed |
| EP-0416286-A1 | Sulfonylhydrazines and their use as antineoplastic agents and as antitrypanosomal agents | YALE UNIVERSITY (US) | 1991-03-13 | — | — | EP | disclosed |