SCHEMBL4589760

SCHEMBL4589760

CN1CCC(c2ccc(Cl)cc2)C(C(=O)O)C1.[LiH]

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
SCHEMBL3827437 0.99
SCHEMBL13979143 0.99
SCHEMBL3827455 0.99
SCHEMBL7807707 0.99
SCHEMBL2636786 0.99
Hydrochloric Acid SCHEMBL7080827 0.97
Hydrochloric Acid SCHEMBL7807610 0.97
Hydrochloric Acid SCHEMBL7080825 0.97
SCHEMBL13979122 0.87
SCHEMBL1267675 0.85 MEN1 (0.68)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312446-A1 IMAGING AGENTS FOR DIAGNOSIS OF PARKINSON'S DISEASE MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2008-12-18 US disclosed
US-7317103-B2 Imaging agents for diagnosis of Parkinson's disease MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2008-01-08 US disclosed
US-20050026955-A1 Imaging agents for diagnosis of Parkinson's disease MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2005-02-03 US disclosed
US-6677454-B2 PIPERIDINE MONOAMINE TRANSPORTER LIGANDS, COMPRISING FUNCTIONAL GROUP CAPABLE OF CHELATING RADIONUCLIDES BIOSTREAM THERAPEUTICS, INC. 2004-01-13 US disclosed
US-20030208078-A1 Imaging agents for diagnosis of parkinson's disease MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2003-11-06 US disclosed
US-6515131-B2 Imaging mammal brain tissue via administering technetium, piperidine derivative complex BIOSTREAM THERAPEUTICS, INC. 2003-02-04 US disclosed
US-20010044543-A1 Imaging agents for diagnosis of Parkinson's disease MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2001-11-22 US disclosed