SCHEMBL728221

SCHEMBL728221

Cn1ncc(C(=O)c2ccc(S(C)(=O)=O)c(C3=NOCC3)c2Cl)c1O

nearest known ligand 0.00

⚠ 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
SCHEMBL7685630 0.92
Topramezone SCHEMBL116121 0.90
Topramezone SCHEMBL29566850 0.90
SCHEMBL7142215 0.89
SCHEMBL4267215 0.88 RAB9A (0.32)
SCHEMBL28008119 0.87 NPC1 (0.30)
SCHEMBL700419 0.87
SCHEMBL701489 0.85
SCHEMBL2271783 0.84
SCHEMBL4267869 0.83 KDM4E (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150031572-A1 MEANS AND METHODS FOR ASSESSING NEURONAL TOXICITY BASF SE (DE) 2015-01-29 US claimed
EP-2815237-A1 MEANS AND METHODS FOR ASSESSING NEURONAL TOXICITY BASF SE (DE) 2014-12-24 EP claimed
WO-2013121383-A1 MEANS AND METHODS FOR ASSESSING NEURONAL TOXICITY BASF SE (DE) 2013-08-22 WO claimed
JP-4737988-B2 2011-08-03 JP claimed
JP-4739752-B2 2011-08-03 JP claimed
JP-4646403-B2 2011-03-09 JP claimed
US-7842646-B2 Synergistically acting herbicidal mixtures BASF SE (DE) 2010-11-30 US claimed
US-20100261680-A1 HERBICIDES CONTAINING SUBSTITUTED THIEN-3-YL-SULPHONYLAMINO(THIO)CARBONYL-TRIAZOLIN(ETHI)ONES BAYER CROPSCIENCE AG (DE) 2010-10-14 US claimed
EP-1526773-B1 SYNERGISTICALLY ACTING HERBICIDAL MIXTURES BASF SE (DE) 2008-12-17 EP claimed
EP-1526774-B1 SYNERGISTICALLY ACTING HERBICIDAL MIXTURES BASF SE (DE) 2008-05-21 EP claimed
US-20020025910-A1 3-heterocycly1 - substituted benzoyl derivatives DEYN WOLFGANG VON (DE) 2002-02-28 US claimed
CN-1308491-A Herbicidal mixture containing a 3 heterocycly-substituted benzoyl derivative BASF AG (DE) 2001-08-15 CN claimed
CN-1305346-A Herbicidal mixtures with synergistic effect BASF AG (DE) 2001-07-25 CN claimed
EP-1087664-A1 HERBICIDAL MIXTURES HAVING A SYNERGISTIC EFFECT BASF AKTIENGESELLSCHAFT (DE) 2001-04-04 EP claimed
EP-1085808-A1 HERBICIDAL MIXTURE CONTAINING A 3 HETEROCYCLYL-SUBSTITUTED BENZOYL DERIVATIVE BASF AKTIENGESELLSCHAFT (DE) 2001-03-28 EP claimed
CN-1248255-A 3-heterocyclyl-substituted benzoyl derivatives BASF AG (DE) 2000-03-22 CN claimed
WO-1999065314-A1 HERBICIDAL MIXTURES HAVING A SYNERGISTIC EFFECT BASF AKTIENGESELLSCHAFT (DE) 1999-12-23 WO claimed
WO-1999063823-A1 HERBICIDAL MIXTURE CONTAINING A 3 HETEROCYCLYL-SUBSTITUTED BENZOYL DERIVATIVE BASF AKTIENGESELLSCHAFT (DE) 1999-12-16 WO claimed
EP-0958291-A1 3-HETEROCYCLYL-SUBSTITUTED BENZOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-11-24 EP claimed
WO-1998031681-A1 3-HETEROCYCLYL-SUBSTITUTED BENZOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO claimed