⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL675975 | 0.78 | — | — | |
| SCHEMBL827030 | 0.76 | — | — | |
| SCHEMBL7252534 | 0.76 | — | — | |
| SCHEMBL626433 | 0.76 | — | — | |
| SCHEMBL11493724 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL7070954 | 0.76 | — | — | |
| SCHEMBL30172905 | 0.67 | CA12 (0.46) | — | |
| SCHEMBL11627946 | 0.67 | — | — | |
| SCHEMBL11175620 | 0.62 | — | — | |
| SCHEMBL193314 | 0.62 | — | — |
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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6552056-B2 | Bactericides; fungicides; miticides; nematocides; for agriculture | NIHON BAYER AGROCHEM K.K. (JP) | 2003-04-22 | — | — | US | claimed |
| US-20030013750-A1 | Isothiazolecarboxamides and their use as microbicides | NIHOM BAYER AGROCHEM K.K. (JP) | 2003-01-16 | — | — | US | claimed |
| CN-1353700-A | Isothiazole carboxamides and their use as microbicides | BAYER AGROCHEM KK (JP) | 2002-06-12 | — | — | CN | claimed |
| CN-1333761-A | Isothiazolecarboxylic acid derivatives | BAYER AGROCHEM KK (JP) | 2002-01-30 | — | — | CN | claimed |
| EP-1129083-A1 | ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES | NIHON BAYER AGROCHEM K.K. (JP) | 2001-09-05 | — | — | EP | claimed |
| WO-2000029398-A1 | ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES | NIHON BAYER AGROCHEM K.K. (JP) | 2000-05-25 | — | — | WO | claimed |
| CN-104193741-B | Quinuclidine-4-ylmethyl 1H-indole-3-carboxylic acid ester derivant as alpha 7 nicotinic acetylcholine receptor ligands | 阿尔法梅根有限责任公司 | 2016-08-24 | — | — | CN | disclosed |
| CN-104193741-A | QUINUCLIDIN-4-YLMETHYL 1H-INDOLE-3-CARBOXYLATE DERIVATIVES AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | COMENTIS INC | 2014-12-10 | — | — | CN | disclosed |
| EP-2412707-A2 | 3-[2-(3-Amino-2-oxo-2H-pyridin-1-yl)-acetylamino]-4-oxo-pentanoic acid derivatives and their use as caspase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-01 | — | — | EP | disclosed |
| US-7960415-B2 | Caspase inhibitors and uses thereof | Vertex Pharmaceutical Incoporated (US) | 2011-06-14 | — | — | US | disclosed |
| CN-101883771-A | Quinuclidin-4-ylmethyl 1H-indole-3-carboxylate derivatives as alpha 7-nicotinic acetylcholine receptor ligands for the treatment of Alzheimer's disease | COMENTIS INC | 2010-11-10 | — | — | CN | disclosed |
| CN-101775012-A | Aspartic acid specific cysteine proteinase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPO | 2010-07-14 | — | — | CN | disclosed |
| CN-1812972-B | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPO | 2010-04-28 | — | — | CN | disclosed |
| US-4113872-A | DIURETICS, SALURETICS, ANTIHYPERTENSIVE, ANTITHROMBOTIC AGENTS | BAKER AKTIENGESELLSHAFT (DE) | 1978-09-12 | — | — | US | disclosed |
| US-4112109-A | DIURETIC, SALURETIC, ANTIHYPERTENSIVE, ANTITHROMBOTIC | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-05 | — | — | US | disclosed |
| US-4099011-A | DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC | BAYER AKTIENGESELLSCHAFT (DE) | 1978-07-04 | — | — | US | disclosed |
| US-4096152-A | DIURETICS, SALURETICS, HYPOTENSIVE | BAYER AKTIENGESELLSCHAFT (DT) | 1978-06-20 | — | — | US | disclosed |
| US-4069334-A | DIURETICS, HYPOTENSIVES | BAYER AKTIENGESELLSCHAFT (DT) | 1978-01-17 | — | — | US | disclosed |
| US-4002641-A | DIURETICS, SALURETICS, HYPOTENSIVES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-01-11 | — | — | US | disclosed |
| US-3979404-A | FUNGICIDES | SYNTEX (U.S.A.) INC. (US) | 1976-09-07 | — | — | US | disclosed |