SCHEMBL16794414

SCHEMBL16794414

C[N+](C)(C)CCOC(=O)C(OC(=O)COc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ MAPT P10636 4/20 0.49
▸ MAPK1 P28482 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ PKM P14618 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ LMNA P02545 1/20 0.44

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
SCHEMBL15437951 0.86 TDP1 (0.71) TDP1ALDH1A1L3MBTL1MAPTMAPK1
Hydrochloric Acid SCHEMBL32673210 0.85 TDP1 (0.70) TDP1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL27374547 0.75 TDP1 (0.78) TDP1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL27902847 0.75 CYP1A2 (0.60) TDP1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL7876706 0.75 TDP1 (0.56) TDP1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL29860787 0.74 MAPT (0.67) TDP1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL158457 0.74 MAPT (0.67) TDP1ALDH1A1L3MBTL1MAPTMAPK1
Ammonia Solution, Strong SCHEMBL29010268 0.73 MAPT (0.65) TDP1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL28238071 0.73 TDP1 (0.84) TDP1ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL8553263 0.73 TDP1 (0.47) TDP1ALDH1A1L3MBTL1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3079470-A1 SYNERGISTIC HERBICIDAL WEED CONTROL FROM COMBINATIONS OF 2,4-D-CHOLINE AND GLUFOSINATE Dow AgroSciences LLC (US) 2016-10-19 — — EP disclosed
EP-3079469-A1 SYNERGISTIC HERBICIDAL WEED CONTROL AND IMPROVED CROP TOLERANCE FROM COMBINATIONS OF 2,4-D-CHOLINE AND GLUFOSINATE IN 2,4-D- AND GLUFOSINATE-TOLERANT SOYBEANS, CORN, COTTON Dow AgroSciences LLC (US) 2016-10-19 — — EP disclosed
WO-2015094910-A1 SYNERGISTIC HERBICIDAL WEED CONTROL DOW AGROSCIENCES LLC (US) 2015-06-25 — — WO disclosed
WO-2015089014-A1 SYNERGISTIC HERBICIDAL WEED CONTROL AND IMPROVED CROP TOLERANCE FROM COMBINATIONS OF 2,4-D-CHOLINE AND GLUFOSINATE IN 2,4-D- AND GLUFOSINATE-TOLERANT SOYBEANS, CORN, COTTON DOW AGROSCIENCES LLC (US) 2015-06-18 — — WO disclosed
WO-2015089015-A1 SYNERGISTIC HERBICIDAL WEED CONTROL FROM COMBINATIONS OF 2,4-D-CHOLINE AND GLUFOSINATE DOW AGROSCIENCES LLC (US) 2015-06-18 — — WO disclosed
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