SCHEMBL21291756

SCHEMBL21291756

CCCCC(CC)C(O)N=C=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.38
MAPK1 P28482 1/20 0.38
CA1 P00915 4/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
FDPS P14324 1/20 0.34
GPR84 Q9NQS5 3/20 0.32
FFAR1 O14842 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL9015022 0.83 TSHR (0.34) CA2MAPK1CA1ALDH1A1TSHR
SCHEMBL8831740 0.78
SCHEMBL25170631 0.78 MAPT (0.34) CA1LMNAFDPSGPR84FFAR1
SCHEMBL25169841 0.76 MAPT (0.37) CA2LMNAFDPSGPR84FFAR1
SCHEMBL25176273 0.76 MAPT (0.37) CA2LMNAFDPSGPR84FFAR1
SCHEMBL28848935 0.76
SCHEMBL28377313 0.75 LMNA (0.39) CA2MAPK1CA1ALDH1A1TSHR
SCHEMBL27496253 0.75 TSHR (0.30) TSHRSMN1; SMN2FDPS
SCHEMBL8859363 0.74 CA2 (0.38) CA2MAPK1CA1ALDH1A1TSHR
SCHEMBL9344519 0.74

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
CN-109844041-B Rheology modifying urethane compounds 可泰克斯公司 2022-02-25 CN disclosed
US-11021566-B2 Rheology-modifying urethane compound COATEX (FR) 2021-06-01 US disclosed
US-20200031985-A1 RHEOLOGY-MODIFYING URETHANE COMPOUND COATEX (FR) 2020-01-30 US disclosed
EP-3529319-A1 RHEOLOGY-MODIFYING URETHANE COMPOUND Coatex (FR) 2019-08-28 EP disclosed