SCHEMBL22157402

SCHEMBL22157402

C=CCCCN(CC)CCCC

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
ALDH1A1 P00352 1/20 0.56
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNH2 Q12809 8/20 0.37
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
PLA2G1B P04054 1/20 0.32
PLA2G2A P14555 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
SCHEMBL22157450 0.93 TSHR (0.56) TSHRALDH1A1MEN1POLBKMT2A
SCHEMBL22157376 0.91 TSHR (0.60) TSHRALDH1A1KCNH2PLA2G1BPLA2G2A
SCHEMBL13896823 0.91 TSHR (0.50) TSHRALDH1A1MEN1POLBKMT2A
SCHEMBL22157599 0.91 TSHR (0.50) TSHRALDH1A1MEN1POLBKMT2A
SCHEMBL22157439 0.91 TSHR (0.62) TSHRALDH1A1MEN1POLBKMT2A
Hydrochloric Acid SCHEMBL22771799 0.88 TSHR (0.59) TSHRALDH1A1MEN1POLBKMT2A
SCHEMBL8417604 0.88 TSHR (0.50) TSHRALDH1A1MEN1POLBKMT2A
SCHEMBL22157435 0.86 TSHR (0.58) TSHRALDH1A1KCNH2KDM5AKDM4C
SCHEMBL22157423 0.86 TSHR (0.56) TSHRALDH1A1KDM5ACA12CA1
Hydrochloric Acid SCHEMBL22771826 0.86 TSHR (0.48) TSHRALDH1A1MEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240052109-A1 POLYSILOXANE VINYLIC MONOMERS AND USES THEREOF ALCON INC. (CH) 2024-02-15 US disclosed
EP-3884019-A1 HOME CARE COMPOSITIONS Colgate-Palmolive Company (US) 2021-09-29 EP disclosed
CN-113227340-A Home care compositions 高露洁-棕榄公司 2021-08-06 CN disclosed
US-11008533-B2 Home care compositions COLGATE-PALMOLIVE COMPANY (US) 2021-05-18 US disclosed
US-20200208081-A1 HOME CARE COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2020-07-02 US disclosed
WO-2020139335-A1 HOME CARE COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2020-07-02 WO disclosed