Toluene

Toluene

SCHEMBL5879928

CCCCNCCCC.Cc1ccccc1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.57
DRD2 P14416 6/20 0.52
DRD4 P21917 6/20 0.52
DRD3 P35462 4/20 0.52
TSHR P16473 3/20 0.50
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50
ACHE P22303 1/20 0.50
ALDH1A1 P00352 1/20 0.46
CHRM2 P08172 2/20 0.45

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
Toluene SCHEMBL19468536 0.98 SIGMAR1 (0.55) SIGMAR1DRD2DRD4DRD3TSHR
Toluene SCHEMBL11599703 0.96 SIGMAR1 (0.53) SIGMAR1DRD2DRD4DRD3TSHR
Toluene SCHEMBL28217025 0.92 SIGMAR1 (0.50) SIGMAR1DRD2DRD4DRD3TSHR
Toluene SCHEMBL28456683 0.84 TSHR (0.48) SIGMAR1DRD2DRD4DRD3TSHR
O-Xylene SCHEMBL29228911 0.84 SIGMAR1 (0.53) SIGMAR1DRD2DRD4DRD3TSHR
Biphenyl SCHEMBL7742046 0.84 SIGMAR1 (0.59) SIGMAR1DRD2DRD4DRD3TSHR
Toluene SCHEMBL14698429 0.84 SIGMAR1 (0.50) SIGMAR1DRD2DRD4DRD3TSHR
Toluene SCHEMBL28340618 0.83 DRD2 (0.43) SIGMAR1DRD2DRD4DRD3ALOX12
Toluene SCHEMBL6257976 0.83 TSHR (0.65) SIGMAR1TSHRLMNAALOX12ACHE
Toluene SCHEMBL18640410 0.83 TSHR (0.65) SIGMAR1TSHRLMNAALOX12ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115710342-B Citric acid-based UV-cured polyurethane acrylate and preparation method and application thereof 华南农业大学 2024-07-16 CN claimed
CN-117720771-A Preparation method of isophorone diisocyanate modified tourmaline and microcapsule 山东安然纳米实业发展有限公司 2024-03-19 CN claimed
CN-117700670-A Preparation method of polyurethane modified tough epoxy resin composite material 奥创特新(苏州)科技有限公司 2024-03-15 CN claimed
CN-117567930-A Scratch-resistant quick-response photochromic lens and preparation method thereof 江苏俊视光学有限公司 2024-02-20 CN claimed
CN-117510233-A Self-lubricating sizing agent for zirconia fiber braiding and preparation method thereof 迈希尔科技(宜兴)有限公司 2024-02-06 CN claimed
CN-117362581-A Modified graphene oxide in-situ polymerization waterborne polyurethane and preparation method thereof 常州市烯耀新材料科技有限公司 2024-01-09 CN claimed
CN-117285691-A Halloysite nanotube modified polyurethane elastomer sound insulation material with excellent mechanical properties and preparation method thereof 北京理工大学 2023-12-26 CN claimed
CN-117210116-A Polyurethane waterproof coating and preparation method thereof 辽宁聚鑫高分子材料有限公司 2023-12-12 CN claimed
CN-116556067-A Sizing agent for alumina fiber and preparation method thereof 哈尔滨工业大学 2023-08-08 CN claimed
CN-116446010-A Surface treatment process of aluminum alloy profile 池州市九华明坤铝业有限公司 2023-07-18 CN claimed
CN-104532367-A Method for manufacturing polyurethane micro-nanofibers through solvent-free electrostatic spinning UNIV QINGDAO 2015-04-22 CN claimed
CN-104479616-A Adhesive with strong adhesion performance and preparation method thereof GUANGDONG FION LEATHER PRODUCT CO LTD 2015-04-01 CN claimed
CN-104119543-A Preparation method of non-ionic UV-cured aqueous polyurethane acrylate UNIV JIANGNAN 2014-10-29 CN claimed
CN-103698470-A Esterification reagent and method for determining resin hydroxyl value SUZHOU FOSITE PHOTOVOLTAIC MATERIALS CO LTD 2014-04-02 CN claimed
CN-103319726-A Unsaturated polyester polyurethane nano silicon dioxide material and preparation method thereof UNIV LANZHOU TECH 2013-09-25 CN claimed
CN-103319727-A Unsaturated polyester polyurethane nano attapulgite material and preparation method thereof UNIV LANZHOU TECH 2013-09-25 CN claimed
CN-103319725-A Unsaturated polyester nano attapulgite material and preparation method thereof UNIV LANZHOU TECH 2013-09-25 CN claimed
CN-102492111-B Method for preparing high-protective polyurethane paint used on silicon rubber surface UNIV HEFEI TECHNOLOGY 2013-04-03 CN claimed
CN-102643407-A Preparation method for isophorone diisocyanate (IPDI) prepolymer for coating curing SHANGHAI DONGDA POLYURETHANE CO LTD 2012-08-22 CN claimed
CN-102492111-A Method for preparing high-protective polyurethane paint used on silicon rubber surface UNIV HEFEI TECHNOLOGY 2012-06-13 CN claimed