SCHEMBL6531416

SCHEMBL6531416

C=C(CN)c1ccco1

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
Hydrochloric Acid SCHEMBL10367671 0.98 CES2 (0.45)
SCHEMBL11360228 0.80
SCHEMBL6519341 0.78
SCHEMBL28660261 0.77 CES2 (0.45)
SCHEMBL14387752 0.75 CES2 (0.43)
SCHEMBL6932749 0.74
SCHEMBL2789585 0.74 CES2 (0.56)
SCHEMBL13656481 0.74 CES2 (0.56)
SCHEMBL14798032 0.74 CES2 (0.47)
SCHEMBL9691076 0.74 CES2 (0.42)

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
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2004-05-27 US claimed
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2003-11-27 US claimed
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 EP claimed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 EP claimed
WO-1992001667-A1 RENAL-SELECTIVE PRODRUGS FOR CONTROL OF RENAL SYMPATHETIC NERVE ACTIVITY IN THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-02-06 WO claimed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 WO claimed
EP-0186915-B1 NOVEL ALLYLIC AMINES MERRELL DOW PHARMACEUTICALS INC. (US) 1990-08-08 EP claimed
US-4703058-A β-methylene furanethanamines and use as anti-hypertensive agents MERRELL DOW PHARMACEUTICALS INC. (US) 1987-10-27 US claimed
EP-0186915-A2 Novel allylic amines MERRELL DOW PHARMACEUTICALS INC. (US) 1986-07-09 EP claimed
US-20050004225-A1 Oxidoreductase inhibitors and methods of screening and using thereof CITY OF HOPE 2005-01-06 US disclosed
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2004-05-27 US disclosed
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2003-11-27 US disclosed
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 EP disclosed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 EP disclosed
EP-0186915-B1 NOVEL ALLYLIC AMINES MERRELL DOW PHARMACEUTICALS INC. (US) 1990-08-08 EP disclosed
CN-1007247-B PROCESS FOR THE PREPARATION OF NOVEL ALLYLIC AMINES MERRELL DOW PHARMA (US) 1990-03-21 CN disclosed
EP-0285356-A2 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1988-10-05 EP disclosed
US-4703058-A β-methylene furanethanamines and use as anti-hypertensive agents MERRELL DOW PHARMACEUTICALS INC. (US) 1987-10-27 US disclosed
US-4703058-A β-methylene furanethanamines and use as anti-hypertensive agents MERRELL DOW PHARMACEUTICALS INC. (US) 1987-10-27 US disclosed
EP-0186915-A2 Novel allylic amines MERRELL DOW PHARMACEUTICALS INC. (US) 1986-07-09 EP disclosed