SCHEMBL29956974

SCHEMBL29956974

O=CCCCCn1ccnc1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 16/20 0.67

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
SCHEMBL7345121 0.98 TBXAS1 (0.70) TBXAS1
SCHEMBL6933057 0.94 TBXAS1 (0.63) TBXAS1
Hydrochloric Acid SCHEMBL25285775 0.92 TBXAS1 (0.61) TBXAS1
SCHEMBL2001148 0.86
Hydrochloric Acid SCHEMBL25239361 0.84 TBXAS1 (0.54) TBXAS1
SCHEMBL937596 0.83 TBXAS1 (0.95) TBXAS1
SCHEMBL9035987 0.82 TBXAS1 (0.76) TBXAS1
SCHEMBL10768414 0.81 TBXAS1 (0.62) TBXAS1
SCHEMBL2535103 0.81 TBXAS1 (1.00) TBXAS1
SCHEMBL2533366 0.81 TBXAS1 (1.00) TBXAS1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed