⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9469299 | 0.77 | — | — | |
| SCHEMBL23610937 | 0.61 | — | — | |
| SCHEMBL139015 | 0.61 | — | — | |
| SCHEMBL23610935 | 0.61 | — | — | |
| SCHEMBL99501 | 0.61 | — | — | |
| SCHEMBL16043231 | 0.55 | — | — | |
| Methane SCHEMBL23150725 | 0.55 | — | — | |
| Lithium SCHEMBL15796626 | 0.55 | — | — | |
| SCHEMBL472866 | 0.55 | — | — | |
| SCHEMBL2110814 | 0.55 | — | — |
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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112263353-A | Cerebral hemorrhage animal model making method | 昆明医科大学 | 2021-01-26 | — | — | CN | claimed |
| US-8772272-B2 | Pyrido-and pyrimidopyrimidine derivatives as anti-proliferative agents | JANSSEN PHARMACEUTICA NV (BG) | 2014-07-08 | — | — | US | claimed |
| CN-115215823-B | FXR modulator, preparation method, pharmaceutical composition and application thereof | 北京百思致道管理顾问中心(有限合伙) | 2024-07-26 | — | — | CN | disclosed |
| CN-117137901-A | TGR5 modulators and uses thereof | 北京大学 | 2023-12-01 | — | — | CN | disclosed |
| WO-2023202583-A1 | FXR REGULATOR AND USE THEREOF | 北京大学 | 2023-10-26 | — | — | WO | disclosed |
| CN-116940552-A | Spirocyclic hexane derivatives, pharmaceutical compositions containing them and their use as anti-apoptotic inhibitors | 法国施维雅药厂 | 2023-10-24 | — | — | CN | disclosed |
| CN-116903559-A | FXR modulators and uses thereof | 北京大学 | 2023-10-20 | — | — | CN | disclosed |
| CN-116444481-A | 4-arylthiophene carboxylic acid compounds as ANO1 protein inhibitors | 北京大学 | 2023-07-18 | — | — | CN | disclosed |
| CN-115215823-A | FXR (FXR) regulator and preparation method, pharmaceutical composition and application thereof | 青岛睿吉医疗技术有限公司 | 2022-10-21 | — | — | CN | disclosed |
| WO-2022218440-A1 | FXR REGULATOR, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF | 青岛睿吉医疗技术有限公司 | 2022-10-20 | — | — | WO | disclosed |
| CN-107382902-B | Thiazole derivative and application thereof | 华东理工大学 | 2022-08-12 | — | — | CN | disclosed |
| US-20080064693-A1 | N-2 Adamantanyl-2-Phenoxy-Acetamide Derivatives as 11-Beta Hydroxysteroid Dehydrogenase Inhibitors | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-03-13 | — | — | US | disclosed |
| WO-2006024627-A9 | N-2 ADAMANTANYL-2-PHENOXY-ACETAMIDE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2008-02-14 | — | — | WO | disclosed |
| EP-1824856-A1 | 2,4 (4,6) PYRIMIDINE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-08-29 | — | — | EP | disclosed |
| EP-1796657-A2 | N-2 ADAMANTANYL-2-PHENOXY-ACETAMIDE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-06-20 | — | — | EP | disclosed |
| US-20070078132-A1 | tyrosine kinase inhibitors such as 7H,19H-4,6-ethanediylidenepyrimido[4,5-b][13,1,4,6]benzoxatriazacyclopentadecine, 17-chloro-8,9,10,11,12,13-hexahydro, used for treating hyper proliferative disorders such as atherosclerosis, restenosis and cancer | JANSSEN-CILAG (FR) | 2007-04-05 | — | — | US | disclosed |
| EP-1697384-A1 | PYRIDO- AND PYRIMIDOPYRIMIDINE DERIVATIVES AS ANTI-PROLIFERATIVE AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-09-06 | — | — | EP | disclosed |
| WO-2006061415-A1 | 2,4 (4,6) PYRIMIDINE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-06-15 | — | — | WO | disclosed |
| WO-2006024627-A2 | N-2 ADAMANTANYL-2-PHENOXY-ACETAMIDE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-03-09 | — | — | WO | disclosed |
| WO-2005058913-A1 | PYRIDO- AND PYRIMIDOPYRIMIDINE DERIVATIVES AS ANTI- PROLIFERATIVE AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-06-30 | — | — | WO | disclosed |