SCHEMBL9789727

SCHEMBL9789727

C=CCN(C)CCCN(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
LSS P48449 12/20 0.36
PYCR1 P32322 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
DNM1 Q05193 3/20 0.35

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
SCHEMBL14844783 0.84 CA12 (0.53) ALDH1A1TSHRLSSPYCR1CA12
SCHEMBL4804643 0.83
SCHEMBL27095807 0.81 PYCR1 (0.41) LSSPYCR1CA12CA2CA3
SCHEMBL5961343 0.80
SCHEMBL8089608 0.80
SCHEMBL13757276 0.80 TSHR (0.42) ALDH1A1TSHRLSSPYCR1
SCHEMBL5485335 0.80 ALDH1A1 (0.41) ALDH1A1TSHRDNM1
SCHEMBL14727255 0.78 TSHR (0.42) ALDH1A1TSHRLSSPYCR1
SCHEMBL22157540 0.78 DNM1 (0.44) ALDH1A1TSHRLSSDNM1
SCHEMBL3431050 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5059249-A Adding anionic, nonionic or cationic surfactant to aqueous sl urry of pigment BASF CORP. (US) 1991-10-22 US claimed
US-4929279-A Process for dispersing organic pigments with ultrasonic radiation BASF CORPORATION (US) 1990-05-29 US claimed
US-4927466-A AZO PIGMENTS PRODUCED BY REACTING AN AZO COMPOUND WITH A COUPLER IN THE PRESENCE OF A SURFACTANT BASF CORP. (US) 1990-05-22 US claimed
US-5059249-A Adding anionic, nonionic or cationic surfactant to aqueous sl urry of pigment BASF CORP. (US) 1991-10-22 US disclosed
US-4929279-A Process for dispersing organic pigments with ultrasonic radiation BASF CORPORATION (US) 1990-05-29 US disclosed
US-4929279-A Process for dispersing organic pigments with ultrasonic radiation BASF CORPORATION (US) 1990-05-29 US disclosed
US-4927466-A AZO PIGMENTS PRODUCED BY REACTING AN AZO COMPOUND WITH A COUPLER IN THE PRESENCE OF A SURFACTANT BASF CORP. (US) 1990-05-22 US disclosed