SCHEMBL11600643

SCHEMBL11600643

O=C(O)C1(C(=O)O)CCCC(C(=O)O)(C(=O)O)C1(C(=O)O)C(=O)O.[NaH].[NaH].[NaH]

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.33
CYP2C19 P33261 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL10918921 1.00 FFAR3 (0.33) FFAR3CYP2C19
SCHEMBL471854 0.97 FFAR3 (0.35) FFAR3CYP2C19
Water SCHEMBL31091595 0.94 FFAR3 (0.33) FFAR3CYP2C19
SCHEMBL27533794 0.94 FFAR3 (0.33) FFAR3CYP2C19
SCHEMBL8629595 0.94 FFAR3 (0.33) FFAR3CYP2C19
SCHEMBL11465829 0.85 FFAR3 (0.38) FFAR3CYP2C19
SCHEMBL1462404 0.84 CYP2C19 (0.34) CYP2C19
SCHEMBL20679 0.82 FFAR3 (0.40) FFAR3CYP2C19
Hydrochloric Acid SCHEMBL627730 0.82 FFAR3 (0.40) FFAR3CYP2C19
Hydrochloric Acid SCHEMBL2294530 0.82 FFAR3 (0.40) FFAR3CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4086334-A A CALCITONIN AND AN ADJUVANT CONTAINING CARBOXY AND/OR PHOSPHONO GROUPS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DT) 1978-04-25 US disclosed