⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11189963 | 0.91 | MEN1 (0.30) | — | |
| SCHEMBL9207655 | 0.79 | — | — | |
| SCHEMBL20855352 | 0.79 | — | — | |
| SCHEMBL27824331 | 0.75 | ALDH1A1 (0.39) | — | |
| SCHEMBL11102274 | 0.73 | ALDH1A1 (0.46) | — | |
| SCHEMBL1438522 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL193873 | 0.67 | — | — | |
| SCHEMBL243783 | 0.66 | — | — | |
| SCHEMBL14480075 | 0.65 | — | — | |
| SCHEMBL1802391 | 0.65 | KMT2A (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0091022-B1 | 5-TRICHLOROMETHYL ISOXAZOLE, PROCESS FOR ITS PREPARATION AND ITS USE | BASF Aktiengesellschaft (DE) | 1985-11-21 | — | — | EP | claimed |
| EP-0091022-A1 | 5-Trichloromethyl isoxazole, process for its preparation and its use | BASF Aktiengesellschaft (DE) | 1983-10-12 | — | — | EP | claimed |
| EP-2385945-B1 | TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD | BAYER IP GMBH (DE) | 2013-01-23 | — | — | EP | disclosed |
| WO-2010057899-A1 | CYCLOALKYL AMINO CARBONYL DERIVATIVES AS BRADYKININ-B1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-05-27 | — | — | WO | disclosed |
| EP-1515967-B1 | 2-HETEROARYL CARBOXAMIDES | BAYER HEALTHCARE AG (DE) | 2006-11-02 | — | — | EP | disclosed |
| EP-1515967-A1 | 2-HETEROARYL CARBOXAMIDES | Bayer HealthCare AG (DE) | 2005-03-23 | — | — | EP | disclosed |
| EP-0922036-B1 | ARYLALKANOYL PYRIDAZINES | MERCK PATENT GMBH (DE) | 2004-03-24 | — | — | EP | disclosed |
| WO-2003104227-A1 | 2-HETEROARYL CARBOXAMIDES | BAYER HEALTHCARE AG (DE) | 2003-12-18 | — | — | WO | disclosed |
| EP-0763534-B1 | Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors | MERCK PATENT GMBH (DE) | 2003-02-26 | — | — | EP | disclosed |
| EP-0922036-A1 | ARYLALKANOYL PYRIDAZINES | MERCK PATENT GmbH (DE) | 1999-06-16 | — | — | EP | disclosed |
| WO-1998006704-A1 | ARYLALKANOYL PYRIDAZINES | MERCK PATENT GMBH (DE) | 1998-02-19 | — | — | WO | disclosed |
| EP-0763534-A1 | Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors | MERCK PATENT GmbH (DE) | 1997-03-19 | — | — | EP | disclosed |
| EP-0254866-B1 | QUINOLIN DERIVATIVES, METHOD FOR THEIR PREPARATION, MICROBIZIDES CONTAINING THEM AND THEIR USE IN COMBATING BACTERIA AND FUNGI | BASF Aktiengesellschaft (DE) | 1991-03-13 | — | — | EP | disclosed |
| EP-0193131-B1 | 5-ISOXAZOLECARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS FUNGICIDES | BASF Aktiengesellschaft (DE) | 1989-12-06 | — | — | EP | disclosed |
| EP-0254866-A1 | Quinolin derivatives, method for their preparation, microbizides containing them and their use in combating bacteria and fungi | BASF Aktiengesellschaft (DE) | 1988-02-03 | — | — | EP | disclosed |
| EP-0193131-A1 | 5-Isoxazolecarboxamides, their preparation and their use as fungicides | BASF Aktiengesellschaft (DE) | 1986-09-03 | — | — | EP | disclosed |
| EP-0091022-B1 | 5-TRICHLOROMETHYL ISOXAZOLE, PROCESS FOR ITS PREPARATION AND ITS USE | BASF Aktiengesellschaft (DE) | 1985-11-21 | — | — | EP | disclosed |
| EP-0091022-A1 | 5-Trichloromethyl isoxazole, process for its preparation and its use | BASF Aktiengesellschaft (DE) | 1983-10-12 | — | — | EP | disclosed |
| EP-0080080-A1 | Isoxazolecarboxylic-acid amides, their preparation and their utilization as fungicides | BASF Aktiengesellschaft (DE) | 1983-06-01 | — | — | EP | disclosed |