SCHEMBL25173648

SCHEMBL25173648

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

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FDPS P14324 1/20 0.31
DNM1 Q05193 2/20 0.31
CA2 P00918 1/20 0.30
MAPK1 P28482 1/20 0.30
OPRM1 P35372 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
SCHEMBL25170497 0.94 OPRM1 (0.38) FDPSOPRM1
SCHEMBL25169842 0.92 MAPT (0.38) FDPSOPRM1
SCHEMBL25176274 0.92 MAPT (0.38) FDPSOPRM1
SCHEMBL25170632 0.92 MAPT (0.38) FDPSOPRM1
SCHEMBL216381 0.86 METAP1 (0.34)
SCHEMBL3448595 0.77
SCHEMBL15034704 0.77
SCHEMBL9015022 0.77 TSHR (0.34) TSHRSMN1; SMN2FDPSDNM1CA2
SCHEMBL27496253 0.77 TSHR (0.30) TSHRSMN1; SMN2FDPSDNM1
SCHEMBL5696403 0.77 TRPA1 (0.33)

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
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
WO-2023080257-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed