SCHEMBL5406504

SCHEMBL5406504

[C]#CCC1C=CCCC1

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
SCHEMBL11081460 0.78
SCHEMBL2424898 0.78
SCHEMBL401494 0.78
SCHEMBL2866356 0.74
SCHEMBL8199466 0.74 USP2 (0.33)
SCHEMBL18576168 0.71 KDM4E (0.30)
SCHEMBL24450286 0.70
SCHEMBL14363844 0.70
SCHEMBL17578910 0.70
SCHEMBL7486852 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202235-B2 Tetracycline compounds for treatment of cryptosporidium parvum related disorders TRUSTEES OF TUFTS COLLEGE (US) 2007-04-10 US claimed
US-20050215532-A1 Tetracycline compounds for treatment of cryptosporidium parvum related disorders TRUSTEES OF TUFTS COLLEGE (US) 2005-09-29 US claimed
EP-1263442-A1 TETRACYCLINE COMPOUNDS FOR TREATMENT OF i CRYPTOSPORIDIUM PARVUM /i RELATED DISORDERS TRUSTEES OF TUFTS COLLEGE (US) 2002-12-11 EP claimed
US-20020115644-A1 Tetracycline compounds for treatment of Cryptosporidium parvum related disorders PARATEK PHARMACEUTICALS, INC. 2002-08-22 US claimed
WO-2001052858-A1 TETRACYCLINE COMPOUNDS FOR TREATMENT OF CRYPTOSPORIDIUM PARVUM RELATED DISORDERS TRUSTEES OF TUFTS COLLEGE (US) 2001-07-26 WO claimed