Dibromoacetic Acid

Dibromoacetic Acid

SCHEMBL7825550

O=C(O)C(Br)Br.O=C1C[C@@H](C(=O)O)N1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGB2 P05107 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGAV P06756 1/20 0.41
ITGA2B P08514 1/20 0.41
ITGA5 P08648 1/20 0.41
ITGB5 P18084 1/20 0.41
ITGAL P20701 1/20 0.41
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CAD P27708 2/20 0.38
EGLN1 Q9GZT9 1/20 0.36
CYP2D6 P10635 2/20 0.36
LMNA P02545 2/20 0.36
BLM P54132 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL1300246 0.87
SCHEMBL690090 0.87
SCHEMBL690089 0.87
SCHEMBL16467758 0.84 CAD (0.48) THRBITGB3ITGB2ITGB1ITGAV
SCHEMBL6950284 0.84
Dihydroorotate SCHEMBL121953 0.72 CAD (0.43) THRBALDH1A1ITGB3ITGB2ITGB1
Dihydroorotate SCHEMBL758070 0.72 CAD (0.43) THRBALDH1A1ITGB3ITGB2ITGB1
Dihydroorotate SCHEMBL417324 0.72 CAD (0.43) THRBALDH1A1ITGB3ITGB2ITGB1
Dihydroorotate SCHEMBL29901858 0.72 CAD (0.43) THRBALDH1A1ITGB3ITGB2ITGB1
SCHEMBL7825555 0.72 ITGB3 (0.34) ITGB3ITGB2ITGB1ITGAVITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed