SCHEMBL6414112

SCHEMBL6414112

CCCCC(Cl)(Cl)[C](Cl)Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.39
ALDH1A1 P00352 3/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 4/20 0.33
SMPD1 P17405 2/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
GGPS1 O95749 2/20 0.30
THRB P10828 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
SCHEMBL962102 0.92 FDPS (0.41) FDPSALDH1A1TSHRSMPD1GGPS1
SCHEMBL11710626 0.90 FDPS (0.43) FDPSALDH1A1TSHRSMPD1GGPS1
SCHEMBL27616712 0.90 FDPS (0.43) FDPSALDH1A1TSHRSMPD1GGPS1
SCHEMBL959546 0.82
SCHEMBL11197128 0.79 ALDH1A1 (0.44) FDPSALDH1A1TP53TSHRSMPD1
SCHEMBL3547826 0.79 FDPS (0.37) FDPSALDH1A1TP53TSHRSMPD1
SCHEMBL16969562 0.77 FDPS (0.35) FDPSALDH1A1TP53TSHR
SCHEMBL11721233 0.76 FDPS (0.38) FDPSALDH1A1TSHRSMPD1ESR1
SCHEMBL1158403 0.74 FDPS (0.41) FDPSALDH1A1TP53TSHRESR1
SCHEMBL8736291 0.72 ALDH1A1 (0.44) FDPSALDH1A1TP53TSHRSMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1614700-A Recording layer dye for high speed recordable optical disk XIANGDE SCIENCE & TECHNOLOGY C (CN) 2005-05-11 CN disclosed
CN-1613914-A Recording layer dye for high speed recordable optical disk XIANGDE SCIENCE & TECHNOLOGY C (CN) 2005-05-11 CN disclosed
US-20050066453-A1 Photochromic dye NEW PRISMATIC ENTERPRISE CO., LTD. (TW) 2005-03-31 US disclosed