SCHEMBL126892

SCHEMBL126892

[CH2]C(=O)OCC(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
SCHEMBL6783944 0.79 TSHR (0.37)
SCHEMBL6640985 0.79
SCHEMBL698611 0.77
SCHEMBL25435787 0.77 TSHR (0.54)
SCHEMBL298254 0.77 TSHR (0.68)
SCHEMBL37351 0.77 TSHR (0.54)
SCHEMBL540805 0.76 TSHR (0.48)
Acetic Acid Isobutyl Ester SCHEMBL6360200 0.76 TSHR (0.60)
SCHEMBL540806 0.76 TSHR (0.48)
SCHEMBL128246 0.76 TSHR (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220184165-A1 Novel Compounds and Pharmaceutical Preparations DICOT AB (SE) 2022-06-16 US claimed
EP-2807170-B1 PHRAGMALIN LIMONOIDS FOR THE TREATMENT OF SEXUAL DYSFUNCTION DICOT AB (SE) 2019-03-13 EP claimed
EP-2162145-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL PREPARATIONS FROM NEOBEGUEA SPEC DICOTYLEDON AB (SE) 2016-05-04 EP claimed
US-20150011616-A1 PHRAGAMALIN LIMONOIDS FOR THE TREATMENT OF SEXUAL DYSFUNCTION DICOT PHARMA AB (SE) 2015-01-08 US claimed
CN-104254537-A Phragmalin limonoids for the treatment of sexual dysfunction DICOTYLEDON AB 2014-12-31 CN claimed
EP-2807170-A2 PHRAGAMALIN LIMONOIDS FOR THE TREATMENT OF SEXUAL DYSFUNCTION Dicotyledon AB (SE) 2014-12-03 EP claimed
WO-2013110744-A2 NOVEL COMPOUNDS, THEIR MANUFACTURE AND USES (II) DICOTYLEDON AB (SE) 2013-08-01 WO claimed
US-20100247593-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL PREPARATIONS DICOTYLEDON AB (SE) 2010-09-30 US claimed
EP-2162145-A2 NOVEL COMPOUNDS AND PHARMACEUTICAL PREPARATIONS FROM NEOBEGUEA SPEC Dicotyledon AB (SE) 2010-03-17 EP claimed
WO-2008145996-A2 NOVEL COMPOUNDS AND PHARMACEUTICAL PREPARATIONS DICOTYLEDON AB (SE) 2008-12-04 WO claimed
EP-0772597-B1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2001-12-12 EP claimed
EP-1127878-A1 3,4 - substituted pyrazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-29 EP claimed
WO-2001047896-A1 BENZIMIDAZOLES, PRODUCTION THEREOF AND THE USE THEREOF AS ANTITHROMBOTIC BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 WO claimed
US-20010006977-A1 Benzimidazoles with antithrombotic activity BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2001-07-05 US claimed
US-6187504-B1 PHOTOSENSITIVE BLEND CONTAINING A NAPHTHALENE SULFONIUM SULFONATE DERIVATIVE PHOTOACID GENERATOR, RESIN HAVING ALKALI INSOLUBLE GROUPS CLEAVABLE BY ACID, AN ALKALI SOLUBLE RESIN AND A SOLUBILITY CONTROL AGENT; POSITIVES, RESOLUTION JSR CORPORATION (JP) 2001-02-13 US claimed
US-6028072-A 3,4-substituted pyrazoles for the treatment of inflammation G. D. SEARLE & CO. (US) 2000-02-22 US claimed
EP-0772597-A1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE &amp; CO. (US) 1997-05-14 EP claimed
WO-1996003385-A1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO claimed
US-5486534-A 3,4-substituted pyrazoles for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-01-23 US claimed
US-3933800-A O-SUBSTITUTED OXIMES, MICROBIOCIDES GRUPPO LEPETIT S.P.A. (IT) 1976-01-20 US claimed