Butedronic Acid

Butedronic Acid

SCHEMBL8712640

O=C(O)CC(C(=O)O)C(P(=O)(O)O)P(=O)(O)O.[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
FOLH1 Q04609 7/20 0.48
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
NAALAD2 Q9Y3Q0 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.35

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
Butedronic Acid SCHEMBL645294 0.98 TDP1 (0.59) TDP1FOLH1CA2CA4MEN1
Butedronic Acid SCHEMBL11226134 0.95 TDP1 (0.56) TDP1FOLH1CA2CA4MEN1
Butedronic Acid SCHEMBL5857758 0.85 TDP1 (0.45) TDP1FOLH1CA2CA4MEN1
Phosphoric Acid SCHEMBL9456210 0.83 TDP1 (0.74) TDP1FOLH1CA2CA4MEN1
Butedronic Acid SCHEMBL5857756 0.82 TDP1 (0.42) TDP1FOLH1CA2CA4LMNA
SCHEMBL15264638 0.77 TDP1 (0.56) TDP1FOLH1CA2CA4MEN1
SCHEMBL23009 0.77 TDP1 (0.56) TDP1FOLH1CA2CA4MEN1
SCHEMBL490757 0.77 TDP1 (0.64) TDP1FOLH1CA2CA4MEN1
SCHEMBL2764210 0.77 TDP1 (0.56) TDP1FOLH1CA2CA4MEN1
SCHEMBL8078228 0.77 TDP1 (0.93) TDP1FOLH1LMNATSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723102-A Process for the preparation of an organ-specific substance labeled with technetium-99m CIS BIO INTERNATIONAL (FR) 1998-03-03 US disclosed
US-5164175-A Cancer detection HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-17 US disclosed
US-5116596-A Complexed reducing agent HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-26 US disclosed