SCHEMBL5502895

SCHEMBL5502895

CC[N]CC(C)(C)C

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL112566 0.81 TSHR (0.36)
SCHEMBL3071810 0.73
SCHEMBL7061550 0.69 TSHR (0.32)
SCHEMBL7052736 0.69
SCHEMBL7055554 0.67 NAAA (0.36)
SCHEMBL10215 0.66
SCHEMBL6549119 0.65
SCHEMBL7057706 0.65 TRPA1 (0.32)
SCHEMBL12744810 0.65 TSHR (0.36)
SCHEMBL825420 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0621867-B1 NEW ENDOTHELIN ANTAGONISTS AND THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO (JP) 1998-10-07 EP claimed
US-5538950-A PEPTIDE DERIVATIVES AS HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-23 US claimed
EP-0621867-A1 NEW ENDOTHELIN ANTAGONISTS AND THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-02 EP claimed
WO-1993010144-A1 NEW ENDOTHELIN ANTAGONISTS AND THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-27 WO claimed
EP-1819692-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2007-08-22 EP disclosed
WO-2006062240-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-06-15 WO disclosed
EP-0994108-B1 PROCESS FOR PRODUCING 2-HYDROXYBENZAMIDE DERIVATIVES ZERIA PHARM CO LTD (JP) 2003-05-14 EP disclosed
US-20020168337-A1 Sustained-release preparation TAKADA CHEMICAL INDUSTRIES LTD. 2002-11-14 US disclosed
US-20020058622-A1 Sustained-release preparation IGARI YASUTAKA (JP) 2002-05-16 US disclosed
US-6376461-B1 WATER INSOLUBLE OR SLIGHTLY WATER SOLUBLE POLYVALENT METAL SALT OF A GROWTH HORMONE, AND A BIODEGRADABLE POLYMER; ENDOTHELIN ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-04-23 US disclosed
US-6197970-B1 REACTING WITH SECONDARY OR TERTIARY AMINE; DEBLOCKING, DEPROTECTING ZERIA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
US-6087324-A A WATER-INSOLUBLE OR A SLIGHTLY WATER-SOLUBLE POLYVALENT METAL SALT OF A WATER-SOLUBLE PHYSIOGICALLY ACTIVE PEPTIDE WHICH IS NOT AN ENDOTHELIN ANTAGONIST, AND A BIODEGRADABLE POLYMER SUCH AS COPOLYMER OF GLYCOLIC AND LACTIC ACID TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-07-11 US disclosed
EP-0994108-A1 PROCESS FOR PRODUCING 2-HYDROXYBENZAMIDE DERIVATIVES ZERIA PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP disclosed
EP-0621867-B1 NEW ENDOTHELIN ANTAGONISTS AND THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO (JP) 1998-10-07 EP disclosed
US-5538950-A PEPTIDE DERIVATIVES AS HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-23 US disclosed
EP-0647449-A1 Sustained-release preparation of anti-endothelin substance Takeda Chemical Industries, Ltd. (JP) 1995-04-12 EP disclosed
EP-0621867-A1 NEW ENDOTHELIN ANTAGONISTS AND THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-02 EP disclosed
WO-1993010144-A1 NEW ENDOTHELIN ANTAGONISTS AND THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-27 WO disclosed