SCHEMBL847665

SCHEMBL847665

C=Cc1ccc(S(=O)(=O)O)cc1.CCCCN(CCCC)CCCC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.64
▸ MCHR1 Q99705 1/20 0.39
▸ ESR1 P03372 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KCNH2 Q12809 2/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ SERPINE1 P05121 1/20 0.35
▸ VCAM1 P19320 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NT5E P21589 1/20 0.34
▸ THRA P10827 1/20 0.34

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
SCHEMBL21990592 0.94 TDP1 (0.60) TDP1MCHR1KCNH2SERPINE1VCAM1
Trolamine SCHEMBL3410426 0.83 TDP1 (0.70) TDP1POLBSMN1; SMN2LMNAVCAM1
Tetrabuthylammonium SCHEMBL7765608 0.82 TDP1 (0.64) TDP1SMN1; SMN2KCNH2TAS1R3TAS1R1
SCHEMBL27165608 0.82 TDP1 (0.64) TDP1POLBSMN1; SMN2TAS1R3TAS1R1
SCHEMBL11867695 0.81 SMN1; SMN2 (0.50) TDP1ESR1POLBSMN1; SMN2LMNA
Phenolsulfonic Acid SCHEMBL28556276 0.81 LMNA (0.59) TDP1MCHR1ESR1POLBSMN1; SMN2
SCHEMBL5874555 0.81 MCHR1 (0.58) TDP1MCHR1SMN1; SMN2KCNH2LMNA
Octadecylamine SCHEMBL9548499 0.81 TDP1 (0.62) TDP1S1PR3CA12CA1CA2
SCHEMBL21990522 0.81 TDP1 (0.62) TDP1S1PR3CA12CA1CA2
SCHEMBL29104437 0.80 TDP1 (0.78) TDP1POLBSMN1; SMN2TAS1R3TAS1R1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3395422-B1 REMOVAL OF METAL IONS FROM ESSENTIAL OILS BIOTAGE AB (SE) 2022-01-26 — — EP disclosed
US-10920171-B2 Removal of metal ions from essential oils BIOTAGE AB (SE) 2021-02-16 — — US disclosed
US-20200131452-A1 REMOVAL OF METAL IONS FROM ESSENTIAL OILS BIOTAGE AB (SE) 2020-04-30 — — US disclosed
CN-110662591-A Removal of metal ions from essential oils 百特基公司 2020-01-07 — — CN disclosed
EP-3395422-A1 REMOVAL OF METAL IONS FROM ESSENTIAL OILS Biotage AB (SE) 2018-10-31 — — EP disclosed
US-10023714-B2 Porous polymeric separation material BIOTAGE AB (SE) 2018-07-17 — — US disclosed
EP-2432588-B1 POROUS POLYMERIC SEPARATION MATERIAL BIOTAGE AB (SE) 2017-01-18 — — EP disclosed
US-20170009041-A1 POROUS POLYMERIC SEPARATION MATERIAL BIOTAGE AB 2017-01-12 — — US disclosed
CN-102802782-B Porous polymeric separation materials BIOTAGE AB 2015-05-13 — — CN disclosed
CN-102802782-A Porous polymeric separation materials MIP TECHNOLOGIES AB 2012-11-28 — — CN disclosed
WO-2010134877-A1 POROUS POLYMERIC SEPARATION MATERIAL MIP TECHNOLOGIES AB (SE) 2010-11-25 — — WO disclosed
US-20070093568-A1 Organic polymer materials having sulfonic acid groups and method for their preparation EBARA CORPORATION (JP) 2007-04-26 — — US disclosed
EP-0613468-B1 Substituted salicylic acids for the treatment of autoimmune diseases PHARMACIA & UPJOHN AB (SE) 2000-07-12 — — EP disclosed
CN-1042631-C Novel substituted salicylic acids KABI PHARMACIA AB (SE) 1999-03-24 — — CN disclosed
US-5556855-A TREATMENT OF AUTOIMMUNE DISEASES PHARMACIA AB (SE) 1996-09-17 — — US disclosed
US-5403930-A Chemical intermediate for drugs used in autoimmune diseases PHARMACIA AB (SE) 1995-04-04 — — US disclosed
EP-0613468-A1 NOVEL SUBSTITUTED SALICYCLIC ACIDS Pharmacia & Upjohn Aktiebolag (SE) 1994-09-07 — — EP disclosed
CN-1088918-A The salicylic acid compounds of new replacement KABI PHARMACIA AB (SE) 1994-07-06 — — CN disclosed
US-5302718-A Used for treating autoimmune diseases KABI PHARMACIA AB (SE) 1994-04-12 — — US disclosed
WO-1993010094-A1 NOVEL SUBSTITUTED SALICYCLIC ACIDS KABI PHARMACIA AB (SE) 1993-05-27 — — WO disclosed
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