SCHEMBL4531332

SCHEMBL4531332

CN(C)c1cc[n+](C#N)cc1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.39
▸ TSHR P16473 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CHKA P35790 9/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL161677 1.00 ALDH1A1 (0.39) ALDH1A1TSHRALOX15HSD17B10CHKA
Acetonitrile SCHEMBL28221268 0.96 CHKA (0.36) ALDH1A1TSHRALOX15HSD17B10CHKA
SCHEMBL1063959 0.92 ALDH1A1 (0.46) ALDH1A1TSHRALOX15HSD17B10CHKA
Hydrochloric Acid SCHEMBL29199774 0.90 ALDH1A1 (0.43) ALDH1A1TSHRALOX15HSD17B10CHKA
Bromide SCHEMBL384556 0.90 CHKA (0.47) ALDH1A1TSHRALOX15HSD17B10CHKA
SCHEMBL1185630 0.86 CHKA (0.41) ALDH1A1TSHRALOX15HSD17B10CHKA
SCHEMBL1193751 0.85 CHKA (0.32) ALDH1A1TSHRALOX15HSD17B10CHKA
SCHEMBL7995708 0.85 CHKA (0.36) ALDH1A1TSHRALOX15HSD17B10CHKA
SCHEMBL3630115 0.85 CHKA (0.36) ALDH1A1TSHRALOX15HSD17B10CHKA
SCHEMBL1185633 0.81 CHKA (0.36) ALDH1A1TSHRALOX15HSD17B10CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1272530-B1 CLATHRATE COMPLEXES FORMED BY HYALURONIC ACID DERIVATIVES AND USE THEREOF AS PHARMACEUTICALS FIDIA FARMACEUTICI (IT) 2006-09-20 — — EP claimed
US-20040076680-A1 Clathrate complexes formed by hyaluronic acid derivatives and use thereof as pharmaceuticals SLOVAK ACADEMY OF SCIENCES (SK) 2004-04-22 — — US claimed
EP-1272530-A1 CLATHRATE COMPLEXES FORMED BY HYALURONIC ACID DERIVATIVES AND USE THEREOF AS PHARMACEUTICALS FIDIA FARMACEUTICI S.p.A. (IT) 2003-01-08 — — EP claimed
WO-2001066601-A1 CLATHRATE COMPLEXES FORMED BY HYALURONIC ACID DERIVATIVES AND USE THEREOF AS PHARMACEUTICALS FIDIA FARMACEUTICI S.P.A. (IT) 2001-09-13 — — WO claimed
US-7563824-B2 Clathrate complexes formed by hyaluronic acid derivatives and use thereof as pharmaceuticals Italian Joint Stock Company (IT) 2009-07-21 — — US disclosed
EP-1272530-B1 CLATHRATE COMPLEXES FORMED BY HYALURONIC ACID DERIVATIVES AND USE THEREOF AS PHARMACEUTICALS FIDIA FARMACEUTICI (IT) 2006-09-20 — — EP disclosed
US-20040076680-A1 Clathrate complexes formed by hyaluronic acid derivatives and use thereof as pharmaceuticals SLOVAK ACADEMY OF SCIENCES (SK) 2004-04-22 — — US disclosed
EP-1272530-A1 CLATHRATE COMPLEXES FORMED BY HYALURONIC ACID DERIVATIVES AND USE THEREOF AS PHARMACEUTICALS FIDIA FARMACEUTICI S.p.A. (IT) 2003-01-08 — — EP disclosed
US-6309859-B1 Method for removing N-terminal methionine TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-30 — — US disclosed
WO-2001066601-A1 CLATHRATE COMPLEXES FORMED BY HYALURONIC ACID DERIVATIVES AND USE THEREOF AS PHARMACEUTICALS FIDIA FARMACEUTICI S.P.A. (IT) 2001-09-13 — — WO disclosed
US-6066470-A Method for removing N-terminal methionine TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-23 — — US disclosed
EP-0812856-B1 Method for removing N-terminal methionine TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-09-29 — — EP disclosed
EP-0812856-A1 Method for removing N-terminal methionine TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-17 — — EP disclosed
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