SCHEMBL15364448

SCHEMBL15364448

C=C(c1ccccn1)P(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
KDM4E B2RXH2 5/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 2/20 0.48
NAPRT Q6XQN6 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
KMT2A Q03164 2/20 0.44
GSK3B P49841 1/20 0.42
NPC1 O15118 3/20 0.40
MAPT P10636 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 2/20 0.40
PKM P14618 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
Methyl Alcohol SCHEMBL28478481 0.79 ALDH1A1 (0.58) ALDH1A1CES2CES1KDM4EL3MBTL1
SCHEMBL15364518 0.79 ALDH1A1 (0.48) ALDH1A1CES2CES1KDM4EL3MBTL1
SCHEMBL4378933 0.78 ALDH1A1 (0.57) ALDH1A1CES2CES1KDM4EL3MBTL1
SCHEMBL15364915 0.78 ALDH1A1 (0.47) ALDH1A1CES2CES1KDM4EL3MBTL1
SCHEMBL177744 0.77
SCHEMBL30736102 0.77
SCHEMBL172761 0.77
SCHEMBL1408599 0.77 CES2 (0.58) ALDH1A1CES2CES1KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL4201173 0.76 ALDH1A1 (0.59) ALDH1A1CES2CES1KDM4EL3MBTL1
Iodide SCHEMBL28203944 0.76 ALDH1A1 (0.59) ALDH1A1CES2CES1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9868805-B2 Polydienes and diene copolymers having organophosphine functionality BRIDGESTONE CORPORATION (JP) 2018-01-16 US disclosed
EP-2844678-B1 POLYDIENES AND DIENE COPOLYMERS HAVING ORGANOPHOSPHINE FUNCTIONALITY BRIDGESTONE CORP (JP) 2017-02-22 EP disclosed
US-9499651-B2 Copolymers of conjugated dienes and vinyl organophosphines prepared by anionic polymerization BRIDGESTONE CORPORATION (JP) 2016-11-22 US disclosed
US-9127109-B2 Preparation of functional polymers phosphorus-containing organometal initiators BRIDGESTONE CORPORATION (JP) 2015-09-08 US disclosed
US-20150126675-A1 Polydienes And Diene Copolymers Having Organophosphine Functionality BRIDGESTONE CORPORATION (JO) 2015-05-07 US disclosed
EP-2844678-A1 POLYDIENES AND DIENE COPOLYMERS HAVING ORGANOPHOSPHINE FUNCTIONALITY Bridgestone Corporation (JP) 2015-03-11 EP disclosed
US-20140275428-A1 Copolymers Of Conjugated Dienes And Vinyl Organophosphines Prepared By Anionic Polymerization BRIDGESTONE CORPORATION (JP) 2014-09-18 US disclosed
WO-2013166124-A1 POLYDIENES AND DIENE COPOLYMERS HAVING ORGANOPHOSPHINE FUNCTIONALITY BRIDGESTONE CORPORATION (JP) 2013-11-07 WO disclosed
US-20130296480-A1 PREPARATION OF FUNCTIONAL POLYMERS PHOSPHORUS-CONTAINING ORGANOMETAL INITIATORS BRIDGESTONE CORPORATION (JP) 2013-11-07 US disclosed