SCHEMBL8328893

SCHEMBL8328893

CC(C)N(C(C)C)P(CCC#N)CCC#N

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NLRP3 Q96P20 1/20 0.31
CYP1A2 P05177 1/20 0.30
MAPK1 P28482 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
SCHEMBL23985093 0.83 TSHR (0.44) TSHR
SCHEMBL634591 0.81 TSHR (0.36) TSHRALDH1A1TDP1NLRP3CYP1A2
SCHEMBL1064223 0.77 TSHR (0.33) TSHR
SCHEMBL8509214 0.77 TSHR (0.33) TSHR
SCHEMBL21697444 0.74 TSHR (0.39) TSHRALDH1A1TDP1NLRP3
SCHEMBL20386983 0.74 TSHR (0.39) TSHRALDH1A1TDP1NLRP3CYP1A2
SCHEMBL4819967 0.73 TSHR (0.30) TSHR
SCHEMBL14338420 0.70 ALDH1A1 (0.31) ALDH1A1
SCHEMBL6066327 0.69 TSHR (0.30) TSHR
SCHEMBL9934054 0.68 TSHR (0.33) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5864032-A Phosphoramidite derivatives, their preparation and the use thereof in the incorporation of reporter groups on synthetic oligonucleotides AMERSHAM INTERNATIONAL PLC (GB) 1999-01-26 US disclosed
US-5567811-A Phosphoramidite derivatives, their preparation and the use thereof in the incorporation of reporter groups on synthetic oligonucleotides AMERSHAM INTERNATIONAL PLC (GB) 1996-10-22 US disclosed
EP-0527184-B1 PHOSPHORAMIDITE DERIVATIVES, THEIR PREPARATION AND THE USE THEREOF IN THE INCORPORATION OF REPORTER GROUPS ON SYNTHETIC OLIGONUCLEOTIDES AMERSHAM INT PLC (GB) 1995-08-02 EP disclosed
EP-0527184-A1 PHOSPHORAMIDITE DERIVATIVES, THEIR PREPARATION AND THE USE THEREOF IN THE INCORPORATION OF REPORTER GROUPS ON SYNTHETIC OLIGONUCLEOTIDES. AMERSHAM INT PLC (GB) 1993-02-17 EP disclosed
WO-1991017169-A1 PHOSPHORAMIDITE DERIVATIVES, THEIR PREPARATION AND THE USE THEREOF IN THE INCORPORATION OF REPORTER GROUPS ON SYNTHETIC OLIGONUCLEOTIDES AMERSHAM INTERNATIONAL PLC (GB) 1991-11-14 WO disclosed