⚠ 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 SCHEMBL27508313 | 0.98 | — | — | |
| SCHEMBL7432515 | 0.77 | — | — | |
| SCHEMBL22223980 | 0.77 | ESR1 (0.35) | — | |
| SCHEMBL563227 | 0.77 | ABL1 (0.42) | — | |
| SCHEMBL9377009 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL9122072 | 0.74 | NPC1 (0.36) | — | |
| SCHEMBL11094307 | 0.73 | ADORA2A (0.38) | — | |
| SCHEMBL21381229 | 0.73 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL84678 | 0.72 | — | — | |
| SCHEMBL18235940 | 0.71 | AR (0.36) | — |
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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115433160-B | Analgesic active compounds and medical application thereof | 中国人民解放军军事科学院军事医学研究院 | 2023-06-30 | — | — | CN | disclosed |
| CN-115433160-A | Analgesic active compound and medical application thereof | 中国人民解放军军事科学院军事医学研究院 | 2022-12-06 | — | — | CN | disclosed |
| CN-112159401-B | Biased agonist and medical application thereof | 中国人民解放军军事科学院军事医学研究院 | 2022-06-03 | — | — | CN | disclosed |
| CN-109232575-B | Pyrrole [1,2-b ] pyridazine compound or pharmaceutically acceptable salt thereof and application thereof | 中国科学院上海药物研究所 | 2022-01-25 | — | — | CN | disclosed |
| CN-112159401-A | Biased agonist and medical application thereof | 中国人民解放军军事科学院军事医学研究院 | 2021-01-01 | — | — | CN | disclosed |
| CN-107922430-B | 2-substituted benzimidazole-4-formamide compound and preparation method and application thereof | 中国科学院上海药物研究所 | 2020-09-04 | — | — | CN | disclosed |
| EP-2205657-B1 | KETOPYRROLES AS ORGANIC SEMICONDUCTORS | BASF SE (DE) | 2017-04-05 | — | — | EP | disclosed |
| CN-101970394-B | Novel cyclic hydrocarbon compounds for the treatment of diseases | LEO PHARMA AS | 2015-05-27 | — | — | CN | disclosed |
| CN-1533374-B | Substitutled cyclohexane-1,4-diamine derivatives | GRUENETHAL GMBH | 2013-08-21 | — | — | CN | disclosed |
| CN-102712646-A | RAF inhibitor compounds and methods of use thereof | ARRAY BIOPHARMA INC | 2012-10-03 | — | — | CN | disclosed |
| WO-2008055840-A1 | THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-05-15 | — | — | WO | disclosed |
| WO-2008019690-A1 | SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES | LEO PHARMA A/S (DK) | 2008-02-21 | — | — | WO | disclosed |
| WO-2008000645-A1 | TETRAZOLE-SUBSTITUTED ARYLAMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-01-03 | — | — | WO | disclosed |
| CN-1914207-A | Aza * -indoline derivatives as medicaments | EXELIXIS INC (US) | 2007-02-14 | — | — | CN | disclosed |
| EP-1720836-A1 | 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS | ELI LILLY AND COMPANY (US) | 2006-11-15 | — | — | EP | disclosed |
| WO-2005082859-A1 | 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS | ELI LILLY AND COMPANY (US) | 2005-09-09 | — | — | WO | disclosed |
| CN-1533374-A | Substitutled cyclohexane-1,4-diamine derivatives | — | 2004-09-29 | — | — | CN | disclosed |
| EP-1198172-A1 | USE OF N-SUBSTITUTED HETEROCYCLYLALKYLAMINES AS HERBICIDES AND NOVEL N-SUBSTITUTED THIENYLALKYLAMINES | Bayer Aktiengesellschaft (DE) | 2002-04-24 | — | — | EP | disclosed |
| WO-2000065916-A1 | USE OF N-SUBSTITUTED HETEROCYCLYLALKYLAMINES AS HERBICIDES AND NOVEL N-SUBSTITUTED THIENYLALKYLAMINES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-11-09 | — | — | WO | disclosed |
| EP-0000453-B1 | PROCESS FOR THE PREPARATION OF THIENOPYRIDINE DERIVATIVES. | OMNIUM FINANCIER AQUITAINE POUR L'HYGIENE ET LA SANTE - SANOFI (FR) | 1980-07-23 | — | — | EP | disclosed |