SCHEMBL25475211

SCHEMBL25475211

O=C(CCS)OCCN1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
ATM Q13315 1/20 0.49
GLA P06280 1/20 0.47
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 2/20 0.44
TNF P01375 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BCHE P06276 1/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
CYP2C19 P33261 1/20 0.42
PRCP P42785 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL25475255 0.90 ALDH1A1 (0.49) ALDH1A1GLAKMT2ALMNAGAA
SCHEMBL25475305 0.86 ALDH1A1 (0.56) ALDH1A1ATMGLAKMT2ALMNA
SCHEMBL501897 0.83 ALDH1A1 (0.58) ALDH1A1ATMGLAKMT2ALMNA
SCHEMBL23870914 0.83 ALDH1A1 (0.58) ALDH1A1ATMGLAKMT2ALMNA
SCHEMBL26784882 0.83 ALDH1A1 (0.58) ALDH1A1ATMGLAKMT2ALMNA
SCHEMBL25475206 0.83 KMT2A (0.46) ALDH1A1KMT2ASMN1; SMN2L3MBTL1BCHE
SCHEMBL20305268 0.82 ALDH1A1 (0.59) ALDH1A1ATMGLAKMT2ALMNA
SCHEMBL20280767 0.82 ALDH1A1 (0.57) ALDH1A1ATMGLAKMT2ALMNA
SCHEMBL13239918 0.82 ALDH1A1 (0.57) ALDH1A1ATMGLAKMT2ALMNA
Bromide SCHEMBL17509812 0.82 ALDH1A1 (0.57) ALDH1A1ATMGLAKMT2ALMNA

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-20230161255-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
US-20230161255-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
US-20230161252-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
US-20230161252-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed