SCHEMBL29112587

SCHEMBL29112587

NC(O)(C(=O)O)C(CC(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.36
GABRR1 P24046 2/20 0.36
LMNA P02545 1/20 0.36
CPT2 P23786 1/20 0.35
ACLY P53396 1/20 0.35
HSPD1 P10809 1/20 0.34
BLM P54132 1/20 0.34
HSPE1 P61604 1/20 0.34
FOLH1 Q04609 2/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL11196284 0.78 TDP1 (0.42) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL3282741 0.78 SLC22A6 (0.43) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL1533821 0.74 TDP1 (0.39) TDP1SMN1; SMN2SLC22A6CPT2ACLY
SCHEMBL5692721 0.74 TDP1 (0.39) TDP1SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL321093 0.74 TDP1 (0.39) TDP1SMN1; SMN2SLC22A6CPT2ACLY
SCHEMBL4313364 0.74 TDP1 (0.39) TDP1SMN1; SMN2SLC22A6CPT2ACLY
SCHEMBL14558024 0.73 TDP1 (0.42) TDP1SMN1; SMN2SLC22A6GABRR1CPT2
SCHEMBL723184 0.73 ACLY (0.57) TDP1SMN1; SMN2SLC22A6CPT2ACLY
SCHEMBL28481021 0.73 TDP1 (0.37) TDP1SMN1; SMN2SLC22A6CPT2ACLY
SCHEMBL11200222 0.71 TDP1 (0.40) TDP1SMN1; SMN2SLC22A6GABRR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250276300-A1 REDUCTION OF MONOMERIC ISOCYANATES BY POROUS MATERIAL BASF SE (DE) 2025-09-04 US disclosed
EP-4291588-B1 REDUCTION OF MONOMERIC ISOCYANATES BY POROUS MATERIAL BASF SE (DE) 2025-08-20 EP disclosed
CN-116829611-A Reduction of monomeric isocyanates by porous materials 巴斯夫欧洲公司 2023-09-29 CN disclosed
WO-2022171564-A1 REDUCTION OF MONOMERIC ISOCYANATES BY POROUS MATERIAL BASF SE (DE) 2022-08-18 WO disclosed