SCHEMBL28640963

SCHEMBL28640963

CN1C=[N+](C)CC1.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
SCHEMBL28527949 0.61 KDM4E (0.50)
SCHEMBL1865619 0.54 KDM4E (0.50)
SCHEMBL243288 0.54
SCHEMBL4812594 0.54 KDM4E (0.50)
SCHEMBL23926540 0.54 KDM4E (0.50)
SCHEMBL23567016 0.54 KDM4E (0.50)
SCHEMBL22749162 0.54 KDM4E (0.50)
SCHEMBL20570026 0.54 KDM4E (0.50)
SCHEMBL22581617 0.54 KDM4E (0.50)
SCHEMBL20570963 0.54 KDM4E (0.50)

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-111117594-B Electrochromic material and electrochromic device based on dynamic metal-ligand complexation 吉林大学 2024-03-26 CN claimed
CN-108795407-B Electrochromic material based on action of electrochromic acid and preparation of electrochromic device 常州铱视光电科技有限公司 2021-04-16 CN claimed
CN-111117594-A Electrochromic material based on dynamic metal-ligand complexation and electrochromic device 吉林大学 2020-05-08 CN claimed
CN-111117594-B Electrochromic material and electrochromic device based on dynamic metal-ligand complexation 吉林大学 2024-03-26 CN disclosed
CN-115074109-A Electrochromic material and device 吉林大学 2022-09-20 CN disclosed
CN-109504015-B Electrochromic polymer material based on combination strategy and preparation of electrochromic device 常州铱视光电科技有限公司 2021-05-11 CN disclosed
CN-111117594-A Electrochromic material based on dynamic metal-ligand complexation and electrochromic device 吉林大学 2020-05-08 CN disclosed