SCHEMBL5514558

SCHEMBL5514558

C/C(=C\C(=O)O)C(C)C

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
SCHEMBL4826203 1.00
SCHEMBL12215996 1.00
SCHEMBL16059550 0.80
SCHEMBL1645856 0.80
SCHEMBL16059549 0.80
SCHEMBL17156490 0.79
SCHEMBL10254150 0.79
SCHEMBL28049815 0.78
SCHEMBL15482549 0.78
SCHEMBL11152972 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62087591-A None JP disclosed
WO-2025059040-A1 MUTANT KRAS MODULATORS AND USES THEREOF NEWAVE PHARMACEUTICAL INC. (US) 2025-03-20 WO disclosed
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20170210701-A1 SUBSTITUTED CYANO CYCLOALKYL PENTA-2,4-DIENES, CYANO CYCLOALKYL PENT-2-EN-4-YNES, CYANO HETEROCYCLYL PENTA-2,4-DIENES AND CYANO HETEROCYCLYL PENT-2-EN-4-YNES AS ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-27 US disclosed
EP-2697193-B1 SUBSTITUTED 5-(CYCLOHEX-2-EN-1-YL)-PENTA-2,4-DIENES AND 5-(CYCLOHEX-2-EN-1-YL)-PENT-2-EN-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER IP GMBH (DE) 2016-07-06 EP disclosed
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2016-02-04 US disclosed
WO-2016012362-A1 SUBSTITUTED CYANO CYCLOALKYL PENTA-2,4-DIENES, CYANO CYCLOALKYL PENT-2-EN-4-YNES, CYANO HETEROCYCLYL PENTA-2,4-DIENES AND CYANO HETEROCYCLYL PENT-2-EN-4-YNES AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-01-28 WO disclosed
US-9185914-B2 Substituted 5-(cyclohex-2-en-1-yl)-penta-2,4-dienes and 5-(cyclohex-2-en-1-yl)-pent-2-en-4-ines as active agents against abiotic stress in plants BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-12-18 US disclosed
EP-1694802-A1 PROCESS FOR PREPARING AN OVERBASED DETERGENT The Lubrizol Corporation (US) 2006-08-30 EP disclosed
US-20060178278-A1 Process for Preparing an Overbased Detergent THE LUBRIZOL CORPORATION (US) 2006-08-10 US disclosed
WO-2005042677-A1 PROCESS FOR PREPARING AN OVERBASED DETERGENT THE LUBRIZOL CORPORATION (US) 2005-05-12 WO disclosed
EP-1227111-A1 TRIPHENYLBORON-CONTAINING POLYMERS AND USE THEREOF Yoshitomi Fine Chemicals, Ltd. (JP) 2002-07-31 EP disclosed
US-4774342-A ANTITUMOR AGENTS SUNTORY LIMITED (JP) 1988-09-27 US disclosed
EP-0108645-B1 NOVEL AILANTHONE DERIVATIVE SUNTORY LIMITED (JP) 1987-05-13 EP disclosed
JP-S6287591-A NOVEL QUASSINOIDS AND THEIR PREPARATION SUNTORY LTD 1987-04-22 JP disclosed
EP-0108645-A2 Novel ailanthone derivative SUNTORY LIMITED (JP) 1984-05-16 EP disclosed
US-4350638-A ANTIMALARIAL AGENTS RESEARCH CORPORATION (US) 1982-09-21 US disclosed
JP-S06287591-A 0001-01-01 JP disclosed