SCHEMBL10402452

SCHEMBL10402452

CCSCC(O)C=O

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
SCHEMBL8159426 0.76
SCHEMBL10402964 0.75
SCHEMBL1613114 0.73 MPI (0.31)
SCHEMBL6826865 0.72
SCHEMBL12216606 0.72
SCHEMBL10402005 0.71
SCHEMBL11277667 0.70
SCHEMBL10403284 0.70
SCHEMBL8007391 0.70
SCHEMBL7537680 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261167-A1 In vivo screen using chemical inducers of dimerization THE TRUSTREES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2010-10-14 US disclosed
US-20100261167-A1 In vivo screen using chemical inducers of dimerization THE TRUSTREES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2010-10-14 US disclosed
US-7419780-B2 Methods and assays for screening protein targets THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-09-02 US disclosed
US-7419780-B2 Methods and assays for screening protein targets THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-09-02 US disclosed
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed