SCHEMBL1721185

SCHEMBL1721185

[Li]C(C)(C)NC(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
SCHEMBL104329 0.69
SCHEMBL23061698 0.69 TDP1 (0.33)
SCHEMBL29249255 0.67
SCHEMBL29249247 0.67
Hydrochloric Acid SCHEMBL29012713 0.67
SCHEMBL9490417 0.64
SCHEMBL22824811 0.64
SCHEMBL21478038 0.64
SCHEMBL278619 0.64
SCHEMBL24208209 0.64 ALDH1A1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406242-B1 PROCESS FOR THE PREPARATION OF RAMELTEON IND CHIMICA SRL (IT) 2013-06-05 EP disclosed
US-8242291-B2 Process for the preparation of ramelteon INDUSTRIALE CHIMICA S.R.L. (IT) 2012-08-14 US disclosed
EP-2406242-A1 PROCESS FOR THE PREPARATION OF RAMELTEON Industriale Chimica S.R.L. (IT) 2012-01-18 EP disclosed
WO-2010103553-A1 PROCESS FOR THE PREPARATION OF RAMELTEON INDUSTRIALE CHIMICA S.R.L. (IT) 2010-09-16 WO disclosed
US-20100234622-A1 PROCESS FOR THE PREPARATION OF RAMELTEON INDUSTRIALE CHIMICA S.R.L (IT) 2010-09-16 US disclosed
EP-0572918-B1 Process for selectively ortho-fluorinating substituted aromatic compounds AIR PROD & CHEM (US) 1998-08-05 EP disclosed
US-5453434-A Ocular hypotensive agents, treatment of glaucoma ALLERGAN, INC. (US) 1995-09-26 US disclosed
EP-0572918-A1 Process for selectively ortho-fluorinating substituted aromatic compounds AIR PRODUCTS AND CHEMICALS, INC. (US) 1993-12-08 EP disclosed
US-5264449-A Antiglaucoma agent, also treats dry eye disease ALLERGAN, INC. (US) 1993-11-23 US disclosed
US-5233074-A Process for selectively ortho-fluorinating substituted aromatic compounds AIR PRODUCTS AND CHEMICALS, INC. (US) 1993-08-03 US disclosed
EP-0138663-B1 POLLEN SUPPRESSANT COMPRISING A PYRIDAZOLYAMINE LAFARGE COPPEE (FR) 1990-03-14 EP disclosed
US-4561881-A HYBRIDS LAFARGE COPPEE (FR) 1985-12-31 US disclosed
EP-0138663-A2 Pollen suppressant comprising a pyridazolyamine LAFARGE COPPEE (FR) 1985-04-24 EP disclosed
US-4391827-A 3-(2-Hydroxy-4-(substituted)phenyl)-cycloalkanone and cycloalkanol analgesic agents and intermediates therefor PFIZER INC. (US) 1983-07-05 US disclosed
US-4306097-A 3-[2-Hydroxy-4-(substituted)phenyl]-cycloalkanol analgesic agents PFIZER INC. (US) 1981-12-15 US disclosed