SCHEMBL4081706

SCHEMBL4081706

C=CC[N+]1(C)CCC(=O)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
Sulfuric Acid SCHEMBL4085938 0.92 SMN1; SMN2 (0.30)
SCHEMBL14104521 0.89 SMN1; SMN2 (0.32)
SCHEMBL4091175 0.89 BCHE (0.32)
Hydrochloric Acid SCHEMBL8350682 0.87 BCHE (0.32)
Bromide SCHEMBL4082986 0.87 SMN1; SMN2 (0.35)
SCHEMBL4088097 0.82 CYP2C9 (0.36)
SCHEMBL4091649 0.78
SCHEMBL4088099 0.76 PTGS1 (0.37)
SCHEMBL8710440 0.75
SCHEMBL8823189 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081543-A2 BLEACHING AGENT COMPRISING PIPERIDONE/S AND IMIDAZOLE/S Henkel AG & Co. KGaA (DE) 2009-07-29 EP claimed
WO-2008095558-A2 BLEACHING AGENT COMPRISING PIPERIDONE/S AND IMIDAZOLE/S HENKEL AG & CO. KGAA (DE) 2008-08-14 WO claimed
EP-2081543-A2 BLEACHING AGENT COMPRISING PIPERIDONE/S AND IMIDAZOLE/S Henkel AG & Co. KGaA (DE) 2009-07-29 EP disclosed
WO-2008095558-A2 BLEACHING AGENT COMPRISING PIPERIDONE/S AND IMIDAZOLE/S HENKEL AG & CO. KGAA (DE) 2008-08-14 WO disclosed