SCHEMBL4623267

SCHEMBL4623267

CC1=NCC(C(=O)O)(C(=O)O)C=C1

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
SCHEMBL4921548 0.77
SCHEMBL593546 0.63 KDM4E (0.32)
SCHEMBL31191909 0.60
SCHEMBL7307599 0.60
SCHEMBL10778290 0.55 CYP3A4 (0.32)
SCHEMBL21900123 0.55
SCHEMBL7398484 0.54
Acetic Acid SCHEMBL11427221 0.53
Hydrochloric Acid SCHEMBL8662463 0.53 CYP3A4 (0.31)
SCHEMBL10776105 0.52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490544-B1 FABRIC CARE COMPOSITION UNILEVER PLC (GB) 2007-07-18 EP claimed
EP-1556539-B1 FABRIC CARE COMPOSITION UNILEVER PLC (GB) 2008-03-19 EP disclosed
EP-1490544-B1 FABRIC CARE COMPOSITION UNILEVER PLC (GB) 2007-07-18 EP disclosed
US-7008916-B2 Fabric care composition UNILEVER HOME & PERSONAL CARE USA (US) 2006-03-07 US disclosed
US-20050272332-A1 Fabric care composition UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO., INC. 2005-12-08 US disclosed
EP-1556539-A2 FABRIC CARE COMPOSITION UNILEVER PLC (GB) 2005-07-27 EP disclosed
EP-1490544-A1 FABRIC CARE COMPOSITION UNILEVER PLC (GB) 2004-12-29 EP disclosed
WO-2004039930-A2 FABRIC CARE COMPOSITION UNILEVER PLC (GB) 2004-05-13 WO disclosed
US-20040087469-A1 Fabric care composition UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2004-05-06 US disclosed
WO-2004018765-A1 FABRIC CARE COMPOSITION UNILEVER PLC (GB) 2004-03-04 WO disclosed
US-20040043915-A1 Fabric care composition UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2004-03-04 US disclosed
EP-0914514-B1 FABRIC TREATMENT COMPOSITION UNILEVER PLC (GB) 2004-02-11 EP disclosed
WO-2003083204-A1 FABRIC CARE COMPOSITION UNILEVER PLC (GB) 2003-10-09 WO disclosed
US-20030191044-A1 Fabric care composition UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-10-09 US disclosed
US-5965517-A REDUCING CREASE DURING WEAR BY APPLYING A FABRIC CARE COMPOSITION COMPRISING A POLYCARBOXYLIC ACID HAVING AT LEAST 4 CARBOXYL GROUPS OR A DERIVATIVE THEREOF, CURING USING HEAT TO DRY THE FABRIC AND IRONING LEVER BROTHERS COMPANY, DIVISION OF CONOPCO,INC. (US) 1999-10-12 US disclosed