SCHEMBL9333404

SCHEMBL9333404

CCCCC(C#N)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
DNM1 Q05193 2/20 0.33
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 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
SCHEMBL9333397 0.91 TSHR (0.37) TSHRDNM1
SCHEMBL5702641 0.91 TSHR (0.37) TSHRDNM1
SCHEMBL27574488 0.85
SCHEMBL23388971 0.83 TSHR (0.42) TSHRDNM1ALDH1A1TDP1
SCHEMBL3456781 0.77 TSHR (0.37) TSHRDNM1
SCHEMBL2232189 0.76 DNM1 (0.33) TSHRDNM1ALDH1A1TDP1
SCHEMBL28162619 0.76 TSHR (0.36) TSHRDNM1
SCHEMBL9308453 0.74
SCHEMBL3838745 0.73 TSHR (0.48) TSHRALDH1A1TDP1
SCHEMBL3457116 0.73 DNM1 (0.37) TSHRDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0592488-A1 DIMETHYLAMINO-HYDROXY-ALKAN DIPHOSPHONIC ACIDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM INSTITUTO GENTILI S.P.A. (IT) 1994-04-20 EP disclosed
WO-1993000348-A1 DIMETHYLAMINO-HYDROXY-ALKAN DIPHOSPHONIC ACIDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ISTITUTO GENTILI S.P.A. (IT) 1993-01-07 WO disclosed