SCHEMBL28313784

SCHEMBL28313784

Cl[Fe](Cl)Cl.O=C(O)CCn1ccnc1

nearest known ligand 0.86

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.86
TBXAS1 P24557 17/20 0.65
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL2001103 0.93 EGLN3 (1.00) EGLN3TBXAS1ALDH1A1
Water SCHEMBL27758383 0.91 EGLN3 (0.96) EGLN3TBXAS1ALDH1A1
Hydrochloric Acid SCHEMBL17337465 0.91 EGLN3 (0.96) EGLN3TBXAS1ALDH1A1
SCHEMBL2436663 0.81 TBXAS1 (0.86) EGLN3TBXAS1ALDH1A1
Hydrochloric Acid SCHEMBL8891869 0.80 TBXAS1 (0.87) EGLN3TBXAS1ALDH1A1
SCHEMBL5535386 0.80 TBXAS1 (0.96) EGLN3TBXAS1ALDH1A1
SCHEMBL9706341 0.79 EGLN3 (0.69) EGLN3TBXAS1ALDH1A1
SCHEMBL28346787 0.79 EGLN3 (0.62) EGLN3TBXAS1ALDH1A1
SCHEMBL5531525 0.79 TBXAS1 (1.00) EGLN3TBXAS1
SCHEMBL3137867 0.79 TBXAS1 (1.00) EGLN3TBXAS1

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
CN-110041533-A A kind of method that ionic liquid ligand displacement method prepares functional metal organic framework material 福州大学 2019-07-23 CN disclosed