SCHEMBL4940979

SCHEMBL4940979

[CH2]C(O)COC(C)CC

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
SCHEMBL4931462 0.81 TDP1 (0.41)
SCHEMBL1476173 0.79
SCHEMBL8744822 0.79
SCHEMBL1829740 0.79 TDP1 (0.41)
SCHEMBL2769517 0.78 TDP1 (0.47)
SCHEMBL12517107 0.77 TDP1 (0.40)
SCHEMBL2353818 0.77 TDP1 (0.40)
SCHEMBL414285 0.76
SCHEMBL8634646 0.76
SCHEMBL12308430 0.75 TDP1 (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1120407-B1 Cystine derivatives AJINOMOTO KK (JP) 2013-02-20 EP disclosed
CN-101332157-B Cysteine derivatives AJINOMOTO KK 2012-01-11 CN disclosed
CN-100453531-C Cysteine derivatives AJINOMOTO KK (JP) 2009-01-21 CN disclosed
CN-101332157-A Cysteine derivatives AJINOMOTO KK (JP) 2008-12-31 CN disclosed
CN-100408560-C Cysteine derivatives AJINOMOTO KK (JP) 2008-08-06 CN disclosed
US-20080119551-A1 SKIN COSMETICS COMPRISING A CYSTINE DERIVATIVE AND A CHEMICAL PEELING AGENT, A BACTERICIDE, AN ANIONIC SUFACTANT, OR A CATIONIC SURFACTANT AJINOMOTO CO. INC (JP) 2008-05-22 US disclosed
US-7375085-B1 Melanocyte-stimulating hormone inhibitors AJINOMOTO CO., INC. (JP) 2008-05-20 US disclosed
US-7105570-B2 Cysteine derivatives AJINOMOTO CO., INC. (JP) 2006-09-12 US disclosed
CN-1261449-C Melanocyte-stimulating hormone inhibitors AJINOMOTO KK (JP) 2006-06-28 CN disclosed
CN-1781906-A Cysteine derivatives AJINOMOTO KK (JP) 2006-06-07 CN disclosed
US-20040156802-A1 Cosmetics or external preparations for skin AJINOMOTO CO., INC. (JP) 2004-08-12 US disclosed
US-6703031-B1 OXIDATIVE STRESS INHIBITOR; RETARDING AGING OF SKIN AJINOMOTO CO., INC. (JP) 2004-03-09 US disclosed
EP-1374831-A1 COMSETICS OR EXTERNAL PREPARAIOTNS FOR SKIN Ajinomoto Co., Inc. (JP) 2004-01-02 EP disclosed
US-20030194417-A1 Cysteine derivatives AJINOMOTO CO. INC (JP) 2003-10-16 US disclosed
US-6602492-B2 Cysteine derivatives AJINOMOTO CO., INC. (JP) 2003-08-05 US disclosed
US-20020115723-A1 Cysteine derivatives AJINOMOTO CO., INC. (JP) 2002-08-22 US disclosed
CN-1341119-A Melanocyte-stimulating hormone inhibitors AJINOMOTO KK (JP) 2002-03-20 CN disclosed
EP-1174437-A1 MELANOCYTE-STIMULATING HORMONE INHIBITORS Ajinomoto Co., Inc. (JP) 2002-01-23 EP disclosed
CN-1315940-A Cysteine derivatives AJINOMOTO KK (JP) 2001-10-03 CN disclosed
EP-1120407-A1 CYSTEINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2001-08-01 EP disclosed