SCHEMBL4030898

SCHEMBL4030898

O=Cc1ccc(CS)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.46
CYP2A6 P11509 4/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
ALDH1A1 P00352 6/20 0.43
ALDH3A1 P30838 1/20 0.43
ALDH1A3 P47895 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TYR P14679 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2A13 Q16696 1/20 0.41
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL3976211 0.80 CYP2A6 (0.52) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL1920241 0.80 CYP2A6 (0.42) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL5429778 0.78 CYP2A6 (0.50) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL4956384 0.76 CYP2A6 (0.69) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL127369 0.76 IDO1 (0.69) IDO1ALDH1A1
SCHEMBL31171 0.76 CYP2A6 (0.69) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL4745365 0.76 CYP2A6 (0.48) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL7522666 0.76 CYP2A6 (0.48) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL9137071 0.74 ALDH1A1 (0.32) IDO1CYP2A6ALDH1A1KDM4ERAB9A
SCHEMBL10621952 0.74 CYP2A6 (0.46) CYP2A6HSD17B10ALDH5A1ABATALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240044802-A1 SURFACE-ENHANCED RAMAN SCATTERING (SERS) PLATFORM FOR ANALYSIS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2024-02-08 US claimed
CN-113683529-B Tetrahydrolinalyl Schiff base compound and preparation method and weeding application thereof 中国林业科学研究院林产化学工业研究所 2023-08-11 CN claimed
CN-113683529-A Tetrahydroaryl schiff base compound and preparation method and weeding application thereof 中国林业科学研究院林产化学工业研究所 2021-11-23 CN claimed
US-4631323-A DOPING WITH CHARGE TRANSFER COMPOUNDS HONEYWELL INC. (US) 1986-12-23 US claimed
US-20250118803-A1 NONAQUEOUS ELECTROLYTE FOR NONAQUEOUS-ELECTROLYTE CELL, AND NONAQUEOUS-ELECTROLYTE CELL PANASONIC INTELLECTUAL PROPERTY MANAGEMENT CO., LTD. (JP) 2025-04-10 US disclosed
EP-4475255-A1 NONAQUEOUS ELECTROLYTE FOR NONAQUEOUS-ELECTROLYTE CELL, AND NONAQUEOUS-ELECTROLYTE CELL Panasonic Intellectual Property Management Co., Ltd. (JP) 2024-12-11 EP disclosed
CN-118591921-A Nonaqueous electrolyte for nonaqueous electrolyte battery and nonaqueous electrolyte battery 松下知识产权经营株式会社 2024-09-03 CN disclosed
EP-4157458-B1 TRIARYLPYRIDINE COMPOUNDS AND USE THEREOF FOR TREATING CANCER INST NAT SANTE RECH MED (FR) 2024-04-17 EP disclosed
CN-115043737-B Tetrahydrolinalool secondary amine compound, preparation method and weeding application thereof 中国林业科学研究院林产化学工业研究所 2024-03-15 CN disclosed
CN-114716289-B Preparation method of chiral benzyl alcohol derivative 华中师范大学 2024-03-01 CN disclosed
US-20240044802-A1 SURFACE-ENHANCED RAMAN SCATTERING (SERS) PLATFORM FOR ANALYSIS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2024-02-08 US disclosed
CN-113683529-B Tetrahydrolinalyl Schiff base compound and preparation method and weeding application thereof 中国林业科学研究院林产化学工业研究所 2023-08-11 CN disclosed
US-5620999-A ANTIARTHRITIC, ANALGESIC AND ANTIPYRATIC AGENT G.D. SEARLE & CO. 1997-04-15 US disclosed
EP-0714391-A1 SUBSTITUTED 2(5H)FURANONE, 2(5H)THIOPHENONE AND 2(5H)PYRROLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-06-05 EP disclosed
WO-1996003387-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed
EP-0624159-A4 PYRIDYL SUBSTITUTED IMIDAZOLES. SMITHKLINE BEECHAM CORP (US) 1995-04-12 EP disclosed
WO-1995005376-A1 SUBSTITUTED 2(5H)FURANONE, 2(5H)THIOPHENONE AND 2(5H)PYRROLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-02-23 WO disclosed
EP-0624159-A1 PYRIDYL SUBSTITUTED IMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1994-11-17 EP disclosed
WO-1993014082-A1 PYRIDYL SUBSTITUTED IMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1993-07-22 WO disclosed
EP-0433662-A2 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-06-26 EP disclosed