SCHEMBL21397877

SCHEMBL21397877

CCCCOP(N(CC)CC)N(CC)CC

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL3835004 0.80 ADRB2 (0.36) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL3835007 0.76 TSHR (0.34) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL4342842 0.71 ADRB2 (0.33) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL223099 0.69 ADRB2 (0.45) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL9719492 0.69 ADRB2 (0.45) ADRB2ADRB1ADRB3CYP3A4TSHR
Trimethylammonium SCHEMBL28169641 0.69 ADRB2 (0.39) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL4455881 0.67 ADRB2 (0.43) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL11594064 0.67 ADRB2 (0.43) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL7639823 0.67 ADRB2 (0.43) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL9719487 0.67 ADRB2 (0.43) ADRB2ADRB1ADRB3CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685809-B2 Phosphorus-containing polymers, and methods of producing thereof NOVOMER, INC. (US) 2023-06-27 US disclosed
US-11685809-B2 Phosphorus-containing polymers, and methods of producing thereof NOVOMER, INC. (US) 2023-06-27 US disclosed
US-20210009753-A1 SULFUR- AND PHOSPHORUS-CONTAINING POLYMERS, AND METHODS OF PRODUCING THEREOF NOVOMER, INC. 2021-01-14 US disclosed
WO-2019183284-A1 SULFUR- AND PHOSPHORUS-CONTAINING POLYMERS, AND METHODS OF PRODUCING THEREOF NOVOMER, INC. (US) 2019-09-26 WO disclosed