SCHEMBL9719094

SCHEMBL9719094

C=CCOC(=O)CCC=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 5/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX2 P34913 1/20 0.36
MAPT P10636 3/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 2/20 0.34
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
USP2 O75604 1/20 0.31
RECQL P46063 1/20 0.31
ABCC4 O15439 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
Hydrochloric Acid SCHEMBL30639520 0.98 TSHR (0.52) TSHRSMN1; SMN2PKMALDH1A1GAA
SCHEMBL10349628 0.88 TSHR (0.47) TSHRSMN1; SMN2PKMALDH1A1GAA
SCHEMBL9428735 0.88 TSHR (0.59) TSHRSMN1; SMN2PKMALDH1A1GAA
SCHEMBL905930 0.86 TSHR (0.57) TSHRSMN1; SMN2PKMALDH1A1GAA
SCHEMBL3887514 0.86 TSHR (0.62) TSHRSMN1; SMN2PKMALDH1A1GAA
SCHEMBL7205385 0.84 TSHR (0.66) TSHRSMN1; SMN2PKMALDH1A1GAA
SCHEMBL10632862 0.84 TSHR (0.66) TSHRSMN1; SMN2PKMALDH1A1GAA
SCHEMBL56403 0.84 TSHR (0.63) TSHRSMN1; SMN2PKMALDH1A1GAA
SCHEMBL27811462 0.83 TSHR (0.47) TSHRSMN1; SMN2PKMALDH1A1GAA
SCHEMBL28545578 0.81 TSHR (0.61) TSHRSMN1; SMN2PKMALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091559-A Process for the preparation of alkyl 4-oxobutyrate and its acetals QUANTUM CHEMICAL CORPORATION (US) 1992-02-25 US claimed
WO-2025103367-A1 LIGAND-DRUG CONJUGATE, LINKER FOR CONJUGATION, AND USE THEREOF 海南先声再明医药股份有限公司 2025-05-22 WO disclosed
CN-116981672-A Macrocyclic compounds as CFTR modulators 爱杜西亚药品有限公司 2023-10-31 CN disclosed
CN-116615411-A Process for producing peptide compound containing N-substituted amino acid residue 中外制药株式会社 2023-08-18 CN disclosed
WO-2022138891-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND CONTAINING N-SUBSTITUTED-AMINO ACID RESIDUE 中外製薬株式会社 2022-06-30 WO disclosed
US-5091559-A Process for the preparation of alkyl 4-oxobutyrate and its acetals QUANTUM CHEMICAL CORPORATION (US) 1992-02-25 US disclosed
US-5091559-A Process for the preparation of alkyl 4-oxobutyrate and its acetals QUANTUM CHEMICAL CORPORATION (US) 1992-02-25 US disclosed
US-5091559-A Process for the preparation of alkyl 4-oxobutyrate and its acetals QUANTUM CHEMICAL CORPORATION (US) 1992-02-25 US disclosed
EP-0299727-B1 THERAPEUTIC AGENTS Pfizer Limited (GB) 1991-11-13 EP disclosed
US-4992447-A Asthma PFIZER INC. (US) 1991-02-12 US disclosed
US-4853392-A Fused 1,4-dihydropyridines as antiallergy and antiinflammatory agents PFIZER INC. (US) 1989-08-01 US disclosed
EP-0299727-A1 Therapeutic agents Pfizer Limited (GB) 1989-01-18 EP disclosed
US-4480120-A Process for the preparation of alkyl-2-alkoxyimino-3-oxo-4-chlorobutyrates EASTMAN KODAK COMPANY (US) 1984-10-30 US disclosed