⚠ 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 SCHEMBL9956689 | 0.61 | — | — | |
| SCHEMBL29724961 | 0.58 | — | — | |
| SCHEMBL844033 | 0.56 | — | — | |
| SCHEMBL4735385 | 0.56 | CYP19A1 (0.57) | — | |
| SCHEMBL6136576 | 0.55 | — | — | |
| Hydrochloric Acid SCHEMBL25275623 | 0.54 | — | — | |
| Hydrochloric Acid SCHEMBL7292 | 0.54 | — | — | |
| SCHEMBL29843433 | 0.54 | — | — | |
| Ammonia Solution, Strong SCHEMBL28661135 | 0.52 | — | — | |
| Benzene SCHEMBL29047908 | 0.52 | TSHR (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0373425-A2 | Substituted pyridazinones, their preparation method and their use as insecticides | BAYER AG (DE) | 1990-06-20 | — | — | EP | claimed |
| CN-115461337-A | Novel triazolyl derivatives as GABA A alpha 5 PAM | 豪夫迈·罗氏有限公司 | 2022-12-09 | — | — | CN | disclosed |
| CN-112424196-A | Novel isoxazolyl ether derivatives as GABAA alpha 5 PAM | 豪夫迈·罗氏有限公司 | 2021-02-26 | — | — | CN | disclosed |
| US-20170096402-A1 | 5-(HETERO)ARYLPYRIDAZINONES AND THEIR USE AS HERBICIDES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2017-04-06 | — | — | US | disclosed |
| EP-3145917-A1 | 5-(HETERO)ARYL-PYRIDAZINONES AND THEIR USE AS HERBICIDES | Bayer CropScience Aktiengesellschaft (DE) | 2017-03-29 | — | — | EP | disclosed |
| WO-2015177109-A1 | 5-(HETERO)ARYL-PYRIDAZINONES AND THEIR USE AS HERBICIDES | BAYER CROPSCIENCE AG (DE) | 2015-11-26 | — | — | WO | disclosed |
| CN-1187331-C | Esters of 3-hydroxy-piperidinemethanol derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2005-02-02 | — | — | CN | disclosed |
| EP-0880500-B1 | ESTERS OF 3-HYDROXY-PIPERIDINEMETHANOL DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2002-07-31 | — | — | EP | disclosed |
| US-6096761-A | REACTING A N-SUBSTITUTED 4-METHANOL-3-HYDROXY OR ALKOXY-PIPERIDINE INTERMEDIATE WITH A CARBOXYLIC ACID DERIVATIVES; ADMINISTERING TO AN ANIMAL SUFFERING WITH A CONDITION RELATED TO HAMPERED OR IMPAIRED GASTRIC EMPTYING | JANSSEN PHARMACEUTICA N.V. (BE) | 2000-08-01 | — | — | US | disclosed |
| CN-1205004-A | Novel esters of 3-hydroxy-piperidinemethanol derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1999-01-13 | — | — | CN | disclosed |
| EP-0880500-A1 | ESTERS OF 3-HYDROXY-PIPERIDINEMETHANOL DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1998-12-02 | — | — | EP | disclosed |
| WO-1997030031-A1 | ESTERS OF 3-HYDROXY-PIPERIDINEMETHANOL DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1997-08-21 | — | — | WO | disclosed |
| US-5004744-A | Durability; effectiveness at low concentration | BAYER AKTIENGESELLSCHAFT (DE) | 1991-04-02 | — | — | US | disclosed |
| EP-0373425-A2 | Substituted pyridazinones, their preparation method and their use as insecticides | BAYER AG (DE) | 1990-06-20 | — | — | EP | disclosed |