SCHEMBL95347

SCHEMBL95347

C[C](C)CC(=O)O

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
Malonic Acid SCHEMBL4013439 0.80 LDHA (0.75)
Malonic Acid SCHEMBL27656392 0.80 LDHA (0.75)
Malonic Acid SCHEMBL9240906 0.80 LDHA (0.75)
Malonic Acid SCHEMBL28539575 0.80 LDHA (0.75)
SCHEMBL35749 0.77
Acetoacetic Acid SCHEMBL10941648 0.77 LDHA (0.57)
SCHEMBL6647502 0.77 LDHA (0.57)
Malonic Acid SCHEMBL11075854 0.77 LDHA (0.69)
Acetoacetic Acid SCHEMBL1406366 0.77 LDHA (0.57)
Acetoacetic Acid SCHEMBL1144213 0.77 LDHA (0.57)

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 482 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3683221-B1 NOVEL CHLORIN E6 DERIVATIVE AND PHARMACEUTICALLY-ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF SHANGHAI BIOPHY BIOLOGICAL PHARMACEUTICAL CO LTD (CN) 2023-06-28 EP claimed
EP-3727390-B1 MTOR INHIBITORS GALDERMA RES & DEV (FR) 2023-03-22 EP claimed
CN-113527319-B Novel chlorin e4 derivative and pharmaceutically acceptable salt thereof, and preparation method and application thereof 中国人民解放军海军军医大学 2023-03-07 CN claimed
US-11518767-B2 MTOR inhibitor compounds GALDERMA RESEARCH & DEVELOPMENT (FR) 2022-12-06 US claimed
CN-113527319-A Novel chlorin e4Derivative and pharmaceutically acceptable salt thereof, and preparation method and application thereof 中国人民解放军海军军医大学 2021-10-22 CN claimed
US-20200317683-A1 MTOR INHIBITOR COMPOUNDS GALDERMA RESEARCH & DEVELOPMENT (FR) 2020-10-08 US claimed
CN-107987081-B Chlorin e6 derivative and pharmaceutically acceptable salt thereof, and preparation method and application thereof 刘辉 2019-12-06 CN claimed
CN-107987081-A A kind of new chlorin e 6 derivative and its pharmaceutically acceptable salt, its preparation method and application 刘辉 2018-05-04 CN claimed
WO-2017064156-A1 NOVEL 6-FUSED AND 2-HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2017-04-20 WO claimed
EP-1867645-B1 Variolin derivatives and their use as antitumor agents PHARMA MAR SA (ES) 2010-09-08 EP claimed
CN-1127492-C Antirheumatic SHIONOJI & CO LTD (JP) 2003-11-12 CN claimed
US-20030125364-A1 Antirheumatic agent MATSUMOTO SAICHI (JP) 2003-07-03 US claimed
US-6583305-B1 Catalysts for enantioselective hydrogenation, hydroboration or 1,4 addition of olefins, ketones and imines STUDIENGESELLSCHAFT KOHLE MBH (DE) 2003-06-24 US claimed
EP-1109819-B1 FERROCENE-BASED DIPHOSPHONITES FOR ASYMMETRICAL CATALYSIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2003-04-16 EP claimed
WO-2003006457-A1 VARIOLIN DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PHARMA MAR, S.A. (ES) 2003-01-23 WO claimed
EP-1109794-A1 AZA-CYCLODEPSIPEPTIDES AND THEIR USE AS ANTIPARASITICS BAYER AG (DE) 2001-06-27 EP claimed
US-6232324-B1 AS HYPERTENSIVE AGENTS FOR DIALYSIS INDUCED HYPOTENSION; ADMINISTERING COMPOUNDS SUCH AS 1-(3-(2-PHENYLPYRAZOLO(1,5-A) PYRIDIN-3-YL)ACRYLOYL)-2-(CARBOXY METHYL)PIPERIDINE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US claimed
CN-1283194-A Antirheumatic SHIONOJI & CO LTD (JP) 2001-02-07 CN claimed
EP-1026162-A1 ANTIRHEUMATIC SHIONOGI & CO., LTD. (JP) 2000-08-09 EP claimed
WO-2000014079-A1 AZA-CYCLODEPSIPEPTIDES AND THEIR USE AS ANTIPARASITICS BAYER AKTIENGESELLSCHAFT (DE) 2000-03-16 WO claimed