SCHEMBL28299905

SCHEMBL28299905

CCCN1C=CN(C)C1.CS(=O)(=O)O

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ 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
Sulfuric Acid SCHEMBL28099211 0.94 TP53 (0.31)
SCHEMBL2760987 0.89 GLB1 (0.35)
SCHEMBL28856165 0.87
SCHEMBL2760920 0.86 CYP2D6 (0.30)
Trifluoromethanesulfonic Acid SCHEMBL25235045 0.86 DRD2 (0.33)
SCHEMBL28043161 0.86 GUSB (0.39)
SCHEMBL28043320 0.86 GUSB (0.39)
SCHEMBL28315520 0.86 GUSB (0.39)
SCHEMBL27876124 0.86 GUSB (0.39)
SCHEMBL27899709 0.86 GUSB (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119136565-A Flexible inorganic perovskite solar cell based on sulfonic acid group ionic liquid additive 华东师范大学 2024-12-13 CN claimed
CN-120865045-A Preparation method of 3,3' -dithiodipropionic acid bis (isooctyl alcohol ester) 上海石化西尼尔化工科技有限公司 2025-10-31 CN disclosed
CN-119136565-A Flexible inorganic perovskite solar cell based on sulfonic acid group ionic liquid additive 华东师范大学 2024-12-13 CN disclosed
CN-119136565-A Flexible inorganic perovskite solar cell based on sulfonic acid group ionic liquid additive 华东师范大学 2024-12-13 CN disclosed
CN-118666701-A Preparation method of acyl amino acid surfactant 广州花语精细化工有限公司 2024-09-20 CN disclosed
CN-109873197-B Polymer electrolyte for solid lithium ion battery and preparation method thereof 苏州大学 2021-12-14 CN disclosed
CN-109873197-A A kind of solid lithium ion battery polymer dielectric and preparation method thereof 苏州大学 2019-06-11 CN disclosed
CN-109415452-A The method for preparing highly reactive isobutylene homo or copolymer 巴斯夫欧洲公司 2019-03-01 CN disclosed