Tetrahydrofuran

Tetrahydrofuran

SCHEMBL218583

C1CCOC1.CCO.CO

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Tetrahydrofuran. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
TSHR P16473 3/20 0.40
TTR P02766 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
HTT P42858 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
Alcohol SCHEMBL7807841 0.97 ALDH1A1 (0.50) ALDH1A1TSHRPDK1PDK2PDK3
Tetrahydrofuran SCHEMBL30232 0.97
Tetrahydrofuran SCHEMBL8412489 0.97 ALDH1A1 (0.57) ALDH1A1TSHRTTRPDK1PDK2
Tetrahydrofuran SCHEMBL28397015 0.93 ALDH1A1 (0.53) ALDH1A1TSHRTTRPDK1PDK2
Alcohol SCHEMBL15013700 0.93
Tetrahydrofuran SCHEMBL4858668 0.93
Tetrahydrofuran SCHEMBL241626 0.93
Alcohol SCHEMBL3138912 0.93 ALDH1A1 (0.53) ALDH1A1TSHRTTRPDK1PDK2
Alcohol SCHEMBL4270003 0.93 ALDH1A1 (0.53) ALDH1A1TSHRTTRPDK1PDK2
Tetrahydrofuran SCHEMBL1775706 0.91 ALDH1A1 (0.44) ALDH1A1TSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116925105-A Solid salt forms, crystalline forms, and methods of making, compositions, and uses of opioid receptor antagonist conjugates 上海瀚迈生物医药科技有限公司 2023-10-24 CN disclosed
WO-2023197934-A1 SOLID SALT FORM OF OPIOID RECEPTOR ANTAGONIST CONJUGATE, CRYSTAL FORM, PREPARATION METHOD THEREFOR, COMPOSITION, AND USE 上海瀚迈生物医药科技有限公司 2023-10-19 WO disclosed
CN-101076528-B Organic compound, charge transport material, and organic electroluminescent device MITSUBISHI CHEM CORP 2012-06-20 CN disclosed
US-8088875-B2 (Meth)acrylate, polymer and resist composition MITSUBISHI RAYON CO., LTD. (JP) 2012-01-03 US disclosed
US-20080003529-A1 (Meth)Acrylate, Polymer and Resist Composition MITSUBISHI RAYON CO., LTD. (JP) 2008-01-03 US disclosed
CN-101076528-A Organic compound, charge transport material, and organic electroluminescent device PIONEER ELECTRONIC CORP (JP) 2007-11-21 CN disclosed
US-4645766-A 1,2-dihydro-2-oxo-3-hydroxymethyl pyridines, compositions and use THE UPJOHN COMPANY (US) 1987-02-24 US disclosed