SCHEMBL8328895

SCHEMBL8328895

CC(C)NC(C)C.N#CCCPCCC#N

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL10530966 0.82 TDP1 (0.35) TDP1TSHR
SCHEMBL2225856 0.79
SCHEMBL27864231 0.75 TSHR (0.50) TDP1TSHRALDH1A1
SCHEMBL2455808 0.73 TDP1 (0.40) TDP1TSHRALDH1A1
SCHEMBL27528744 0.71
SCHEMBL27432162 0.71 MEN1 (0.34) TSHR
SCHEMBL992741 0.71 TDP1 (0.33) TDP1TSHR
SCHEMBL9934057 0.71 TDP1 (0.33) TDP1TSHR
SCHEMBL1328556 0.69 TDP1 (0.31) TDP1TSHR
SCHEMBL27280583 0.68 TSHR (0.48) TDP1TSHRALDH1A1

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