SCHEMBL3466354

SCHEMBL3466354

CCCCC(CC)Cc1ccc(-c2cc(I)sc2Br)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.32
▸ GLA P06280 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ PFKFB3 Q16875 1/20 0.30
▸ BRS3 P32247 1/20 0.30

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
SCHEMBL3467440 0.78 BDKRB2 (0.39) BDKRB2ALDH1A1GLATSHRHTT
SCHEMBL13724159 0.77 ALDH1A1 (0.34) ALDH1A1GLATSHRHTTL3MBTL1
SCHEMBL153634 0.74 BDKRB2 (0.48) BDKRB2ALDH1A1GLATSHRHTT
SCHEMBL21591804 0.74 BDKRB2 (0.40) BDKRB2ALDH1A1GLATSHRHTT
SCHEMBL1498212 0.73 CYP1A2 (0.42) BDKRB2ALDH1A1GLATSHRHTT
SCHEMBL18092320 0.70 BDKRB2 (0.51) BDKRB2ALDH1A1
SCHEMBL27898397 0.70 ALDH1A1 (0.50) BDKRB2ALDH1A1GLATSHRHTT
SCHEMBL25070529 0.69 BDKRB2 (0.36) BDKRB2ALDH1A1HTTL3MBTL1
SCHEMBL21558608 0.68 RARB (0.41) BDKRB2ALDH1A1TSHRBRS3
SCHEMBL1033135 0.68 BDKRB2 (0.43) BDKRB2ALDH1A1GLATSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838624-B2 Mixed halogen polymerization PLEXTRONICS, INC. (US) 2010-11-23 — — US disclosed
US-7838624-B2 Mixed halogen polymerization PLEXTRONICS, INC. (US) 2010-11-23 — — US disclosed
US-7838624-B2 Mixed halogen polymerization PLEXTRONICS, INC. (US) 2010-11-23 — — US disclosed
EP-2144948-A1 ARYL-SUBSTITUTED CONJUGATED POLYMERS Plextronics, Inc. (US) 2010-01-20 — — EP disclosed
EP-2144949-A2 MIXED HALOGEN POLYMERIZATION Plextronics, Inc. (US) 2010-01-20 — — EP disclosed
US-20090066233-A1 Mixed halogen polymerization PLEXTRONICS, INC. 2009-03-12 — — US disclosed
US-20090066233-A1 Mixed halogen polymerization PLEXTRONICS, INC. 2009-03-12 — — US disclosed
US-20090066233-A1 Mixed halogen polymerization PLEXTRONICS, INC. 2009-03-12 — — US disclosed
US-20080315751-A1 Aryl-substituted conjugated polymers PLEXTRONICS, INC. 2008-12-25 — — US disclosed
US-20080315751-A1 Aryl-substituted conjugated polymers PLEXTRONICS, INC. 2008-12-25 — — US disclosed
US-20080315751-A1 Aryl-substituted conjugated polymers PLEXTRONICS, INC. 2008-12-25 — — US disclosed
WO-2008143838-A1 ARYL-SUBSTITUTED CONJUGATED POLYMERS PLEXTRONICS, INC. (US) 2008-11-27 — — WO disclosed
WO-2008143850-A2 MIXED HALOGEN POLYMERIZATION PLEXTRONICS, INC. (US) 2008-11-27 — — WO disclosed
WO-2008143850-A2 MIXED HALOGEN POLYMERIZATION PLEXTRONICS, INC. (US) 2008-11-27 — — WO disclosed
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