SCHEMBL973538

SCHEMBL973538

Pc1ccccc1I

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
SCHEMBL14603959 0.97
SCHEMBL971744 0.75
SCHEMBL1323897 0.73
SCHEMBL30390780 0.73
SCHEMBL28219 0.73
SCHEMBL29350069 0.73
SCHEMBL23390656 0.70
Benzene SCHEMBL10535043 0.70 ALDH1A1 (0.43)
Lithium SCHEMBL7190284 0.70 CYP2A6 (0.36)
SCHEMBL7190279 0.70 CYP2A6 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7009065-B2 Ferrocenyl ligands and the use thereof in catalysis DEGUSSA AG (DE) 2006-03-07 US claimed
US-20050234253-A1 Ferrocenyl ligands and the use thereof in catalysis DEGUSSA AG (DE) 2005-10-20 US claimed
EP-1483276-B1 FERROCENYL LIGANDS AND THE USE THEREOF IN CATALYSIS DEGUSSA (DE) 2005-08-31 EP claimed
CN-103797020-B P-chirality source organic phosphorus compound 国家科学研究中心 2018-01-30 CN disclosed
US-8420865-B2 Phosphine compound, process for producing the same, and peroxide scavenger using the same FUKUOKA UNIVERSITY (JP) 2013-04-16 US disclosed
US-20110015440-A1 PHOSPHINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND PEROXIDE SCAVENGER USING THE SAME FUKUOKA UNIVERSITY (JP) 2011-01-20 US disclosed
EP-0937023-A1 PROCESS FOR THE PREPARATION OF AN ALDEHYDE DSM N.V. (NL) 1999-08-25 EP disclosed
WO-1998019984-A1 PROCESS FOR THE PREPARATION OF AN ALDEHYDE DSM N.V. (NL) 1998-05-14 WO disclosed