SCHEMBL11769872

SCHEMBL11769872

O=C(O)C(C(=O)O)C(C(=O)O)(S(=O)(=O)O)S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL9765963 0.75 ALDH1A1 (0.37) ALDH1A1L3MBTL1
Water SCHEMBL11696735 0.73 ALDH1A1 (0.36) ALDH1A1L3MBTL1
Ammonia Solution, Strong SCHEMBL11696728 0.73 ALDH1A1 (0.36) ALDH1A1L3MBTL1
SCHEMBL27542536 0.65 ALDH1A1 (0.48) ALDH1A1L3MBTL1
SCHEMBL471886 0.61 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9765961 0.61 ALDH1A1 (0.50) ALDH1A1L3MBTL1
SCHEMBL27320303 0.59 ALDH1A1 (0.48) ALDH1A1L3MBTL1
SCHEMBL7049992 0.59 ALDH1A1 (0.37) ALDH1A1
SCHEMBL6059540 0.59 ALDH1A1 (0.37) ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL991785 0.57 ALDH1A1 (0.60) ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3987093-A PROCESS OF PRODUCING CARBOXYDISULFOSUCCINATES CHEVRON RESEARCH COMPANY (US) 1976-10-19 US claimed
US-3987093-A PROCESS OF PRODUCING CARBOXYDISULFOSUCCINATES CHEVRON RESEARCH COMPANY (US) 1976-10-19 US disclosed
US-3987093-A PROCESS OF PRODUCING CARBOXYDISULFOSUCCINATES CHEVRON RESEARCH COMPANY (US) 1976-10-19 US disclosed
US-3965159-A Carboxydisulfosuccinates CHEVRON RESEARCH COMPANY (US) 1976-06-22 US disclosed
US-3965159-A Carboxydisulfosuccinates CHEVRON RESEARCH COMPANY (US) 1976-06-22 US disclosed
US-3965159-A Carboxydisulfosuccinates CHEVRON RESEARCH COMPANY (US) 1976-06-22 US disclosed