⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14721672 | 0.78 | — | — | |
| SCHEMBL8890762 | 0.78 | — | — | |
| Ethylene SCHEMBL22654082 | 0.75 | — | — | |
| SCHEMBL5163608 | 0.72 | — | — | |
| SCHEMBL9376 | 0.72 | — | — | |
| SCHEMBL3881 | 0.72 | — | — | |
| SCHEMBL14721530 | 0.72 | — | — | |
| SCHEMBL9427 | 0.72 | — | — | |
| SCHEMBL7737 | 0.72 | — | — | |
| SCHEMBL3588416 | 0.72 | — | — |
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
Appears in 7972 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4334313-A1 | DIAZEPANE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND USES THEREOF FOR THE AMELIORATION, PREVENTION AND/OR TREATMENT OF MENTAL AND NEUROLOGICAL DISEASES | 2N Pharma ApS (DK) | 2024-03-13 | — | — | EP | claimed |
| CN-117337287-A | Diazepan derivatives, process for their preparation and their use for improving, preventing and/or treating mental and neurological disorders | 2N制药公司 | 2024-01-02 | — | — | CN | claimed |
| CN-109689629-B | Process for preparing 3-fluoroalkyl-5-pyrazole carboxylic acid esters and 3-fluoroalkyl-5-pyrazole carboxylic acids | 拜耳作物科学股份公司 | 2022-11-29 | — | — | CN | claimed |
| CN-112279840-B | Deuterated enaminocarbonyl compound and preparation method and application thereof | 徐州汇川生物科技有限公司 | 2022-11-22 | — | — | CN | claimed |
| US-20210114990-A1 | DISUBSTITUTED 3-PYRAZOLE CARBOXYLATES AND A PROCESS FOR THEIR PREPARATION VIA ACYLATION OF ENOLATES | BAYER AG (DE) | 2021-04-22 | — | — | US | claimed |
| EP-3807249-A1 | DISUBSTITUTED 3-PYRAZOLE CARBOXYLATES AND A PROCESS FOR THEIR PREPARATION VIA ACYLATION OF ENOLATES | Bayer Aktiengesellschaft (DE) | 2021-04-21 | — | — | EP | claimed |
| CN-112334449-A | Disubstituted 3-pyrazole carboxylic esters and process for preparing them by acylation of enol esters | 拜耳公司 | 2021-02-05 | — | — | CN | claimed |
| WO-2021004541-A1 | DEUTERATED ENAMINOCARBONYL COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 徐州汇川生物科技有限公司 | 2021-01-14 | — | — | WO | claimed |
| EP-3515893-B1 | PROCESS FOR PREPARING 3-FLUOROALKYL-5-PYRAZOLECARBOXYLATES AND 3-FLUOROALKYL-5-PYRAZOLECARBOXYLIC ACIDS | BAYER CROPSCIENCE AG (DE) | 2020-10-21 | — | — | EP | claimed |
| CN-110944627-A | Method for preparing sustained-release drug microparticles easy to control release | 大熊制药株式会社 | 2020-03-31 | — | — | CN | claimed |
| EP-0103390-A2 | Guanidine-containing esters as histamine H2 receptor blockers | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-03-21 | — | — | EP | claimed |
| EP-0065823-A1 | Heterocyclic guanidines as histamine H-2 antagonists | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1982-12-01 | — | — | EP | claimed |
| EP-0061318-A2 | Guanidinoheterocyclic derivatives as histamine H-2 antagonists | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1982-09-29 | — | — | EP | claimed |
| EP-0060697-A1 | Heterocyclic derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1982-09-22 | — | — | EP | claimed |
| EP-0060696-A1 | Nitrogen heterocycles | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1982-09-22 | — | — | EP | claimed |
| EP-0060730-A2 | Bicyclic derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1982-09-22 | — | — | EP | claimed |
| EP-0060094-A2 | Guanidine derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1982-09-15 | — | — | EP | claimed |
| EP-0059597-A2 | Guanidino-substituted heterocyclic derivatives having histamine H-2 antagonist activity | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1982-09-08 | — | — | EP | claimed |
| EP-0045155-A1 | Guanidine derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1982-02-03 | — | — | EP | claimed |
| EP-0030092-A1 | Guanidine derivatives, processes for their manufacture and pharmaceutical compositions containing them | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1981-06-10 | — | — | EP | claimed |