SCHEMBL30107665

SCHEMBL30107665

O=C(OCCOCCO)c1ccco1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 5/20 0.51
HTT P42858 1/20 0.51
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44

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
SCHEMBL27663533 1.00 ALDH1A1 (0.52) ALDH1A1LMNAKMT2AHTTMAPT
SCHEMBL4661575 0.90 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AHTTMAPT
SCHEMBL11039202 0.88 ALDH1A1 (0.62) ALDH1A1LMNAKMT2AHTTMAPT
SCHEMBL11523230 0.86 ALDH1A1 (0.55) ALDH1A1LMNAKMT2AHTTMAPT
SCHEMBL11611978 0.84 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AMAPTTSHR
SCHEMBL11608575 0.84 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AHTTMAPT
SCHEMBL15999899 0.83 ALDH1A1 (0.55) ALDH1A1LMNAKMT2AHTTMAPT
SCHEMBL11608578 0.82 ALDH1A1 (0.54) ALDH1A1LMNAKMT2AMAPTTSHR
SCHEMBL15256939 0.81 ALDH1A1 (0.59) ALDH1A1LMNAKMT2AHTTMAPT
SCHEMBL31337846 0.81 ALDH1A1 (0.59) ALDH1A1LMNAKMT2AHTTMAPT

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-20240279419-A1 RIGID PUR/PIR FOAMS, METHOD OF SYNTHESIS OF A POLYOL FOR PRODUCING RIGID PUR/PIR FOAMS, AND METHOD FOR PRODUCING RIGID PUR/PIR FOAMS PUREN GMBH (DE) 2024-08-22 US claimed
EP-4347681-A1 RIGID PUR/PIR FOAMS, METHOD OF SYNTHESIS OF A POLYOL FOR PRODUCING RIGID PUR/PIR FOAMS, AND METHOD FOR PRODUCING RIGID PUR/PIR FOAMS puren GmbH (DE) 2024-04-10 EP claimed
WO-2022253685-A1 RIGID PUR/PIR FOAMS, METHOD OF SYNTHESIS OF A POLYOL FOR PRODUCING RIGID PUR/PIR FOAMS, AND METHOD FOR PRODUCING RIGID PUR/PIR FOAMS PUREN GMBH (DE) 2022-12-08 WO claimed
US-20240279419-A1 RIGID PUR/PIR FOAMS, METHOD OF SYNTHESIS OF A POLYOL FOR PRODUCING RIGID PUR/PIR FOAMS, AND METHOD FOR PRODUCING RIGID PUR/PIR FOAMS PUREN GMBH (DE) 2024-08-22 US disclosed
EP-4347681-A1 RIGID PUR/PIR FOAMS, METHOD OF SYNTHESIS OF A POLYOL FOR PRODUCING RIGID PUR/PIR FOAMS, AND METHOD FOR PRODUCING RIGID PUR/PIR FOAMS puren GmbH (DE) 2024-04-10 EP disclosed
WO-2022253685-A1 RIGID PUR/PIR FOAMS, METHOD OF SYNTHESIS OF A POLYOL FOR PRODUCING RIGID PUR/PIR FOAMS, AND METHOD FOR PRODUCING RIGID PUR/PIR FOAMS PUREN GMBH (DE) 2022-12-08 WO disclosed