Trimethylammonium

Trimethylammonium

SCHEMBL6652130

CCCOC(=O)c1ccc(S(=O)(=O)O)cc1.CN(C)C.[NaH]

nearest known ligand 0.57

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.57
▸ TSHR P16473 3/20 0.57
▸ ESR1 P03372 2/20 0.57
▸ CHRM1 P11229 1/20 0.57
▸ SLC6A2 P23975 1/20 0.57
▸ KDR P35968 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ STS P08842 4/20 0.55
▸ LMNA P02545 4/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ HPGD P15428 2/20 0.47
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ NR1H2 P55055 1/20 0.46
▸ RNASEL Q05823 1/20 0.46
▸ CYP2C9 P11712 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45

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
SCHEMBL7085123 0.94 ALDH1A1 (0.64) ALDH1A1TSHRESR1CHRM1SLC6A2
SCHEMBL9726275 0.85 STS (0.59) ALDH1A1TSHRESR1CHRM1SLC6A2
SCHEMBL20267537 0.83 L3MBTL1 (0.69) ALDH1A1TSHRESR1CHRM1SLC6A2
SCHEMBL27667930 0.82 ALDH1A1 (0.81) ALDH1A1TSHRESR1CHRM1SLC6A2
SCHEMBL11158797 0.81 ALDH1A1 (0.64) ALDH1A1TSHRESR1CHRM1SLC6A2
SCHEMBL11292601 0.80 KMT2A (0.64) ALDH1A1TSHRESR1STSLMNA
SCHEMBL49950 0.80 ALDH1A1 (0.84) ALDH1A1TSHRESR1CHRM1SLC6A2
SCHEMBL27647400 0.80 LMNA (0.50) ALDH1A1TSHRESR1CHRM1SLC6A2
SCHEMBL25311401 0.80 STS (0.68) ALDH1A1TSHRESR1CHRM1SLC6A2
SCHEMBL1823370 0.79 KMT2A (0.62) ALDH1A1TSHRESR1STSLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0693550-B1 Fabric bleaching composition CIBA SC HOLDING AG (CH) 2004-06-16 — — EP claimed
US-6528469-B2 Comprising a peroxy compound and an organomanganese compound as bleaching catalyst, such as manganese complexed with two phenol molecules which are joined by an amide, oxime, or imine-containing bridge CIBA SPECIALTY CHEMICALS CORPORATION 2003-03-04 — — US claimed
US-20010003737-A1 FABRIC BLEACHING COMPOSITION CIBA SPECIALTY CHEMICALS CORP. 2001-06-14 — — US claimed
US-6528469-B2 Comprising a peroxy compound and an organomanganese compound as bleaching catalyst, such as manganese complexed with two phenol molecules which are joined by an amide, oxime, or imine-containing bridge CIBA SPECIALTY CHEMICALS CORPORATION 2003-03-04 — — US disclosed
US-20010003737-A1 FABRIC BLEACHING COMPOSITION CIBA SPECIALTY CHEMICALS CORP. 2001-06-14 — — US disclosed
EP-1021516-A1 FABRIC BLEACHING COMPOSITION Ciba Specialty Chemicals Holding Inc. (CH) 2000-07-26 — — EP disclosed
EP-0876464-A1 BLEACHING OR WASHING COMPOSITION Ciba SC Holding AG (CH) 1998-11-11 — — EP disclosed
WO-1997019162-A1 FABRIC BLEACHING COMPOSITION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1997-05-29 — — WO disclosed
WO-1997014779-A1 BLEACHING OR WASHING COMPOSITION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1997-04-24 — — WO disclosed
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