1,4-Butanediol

1,4-Butanediol

SCHEMBL8846331

Nc1cc(C(=O)O)cc([N+](=O)[O-])c1.OCCCCO

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
CASR P41180 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALOX15 P16050 1/20 0.41
SRD5A2 P31213 1/20 0.40
TSHR P16473 1/20 0.38
ALOX5 P09917 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL18983905 0.90 NPC1 (0.59) NPC1TP53SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL91307 0.90 NPC1 (0.59) NPC1TP53SMN1; SMN2CYP3A4ALDH1A1
Aminobenzoic Acid SCHEMBL9469511 0.83 TDP1 (0.58) NPC1TP53SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL8846327 0.81 NPC1 (0.67) NPC1SMN1; SMN2CYP3A4ALDH1A1MAPT
Ethylene Glycol SCHEMBL10718189 0.81 CYP3A4 (0.57) TP53SMN1; SMN2CYP3A4ALDH1A1LMNA
1,4-Butanediol SCHEMBL7650930 0.81 KDM4E (0.45) TP53SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL12786320 0.80 NPC1 (0.65) NPC1SMN1; SMN2CYP3A4ALDH1A1MAPT
Myristyl Alcohol SCHEMBL29023767 0.80 GAA (0.49) NPC1TP53SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL11069495 0.79 NPC1 (0.59) NPC1SMN1; SMN2CYP3A4ALDH1A1MAPT
SCHEMBL7896132 0.78 NPC1 (0.51) NPC1TP53SMN1; SMN2CYP3A4ALDH1A1

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0437821-B1 Method for producing polyimide foam products. IMI TECH CORP (US) 1997-07-30 EP disclosed
US-5453161-A Polyamic acid to polyimide conversion by microwave heating ENICHEM S.P.A. (IT) 1995-09-26 US disclosed
EP-0351544-B1 Production of foamed polymer structures ALBEMARLE CORP (US) 1994-10-05 EP disclosed
EP-0349796-B1 Production of foamed polymer structures ETHYL CORP (US) 1994-09-21 EP disclosed
EP-0348722-B1 Production of foamed polymer structures ETHYL CORP (US) 1994-08-17 EP disclosed
US-5234966-A Adding to precursor polar protic foam-enhancing additive ETHYL CORPORATION (US) 1993-08-10 US disclosed
US-5122546-A Slurry of equimolar amounts of lower alkyl diester of tetracarboxylic acid, diamine, and volatile polar protic foam enhancing additive ETHYL CORPORATION (US) 1992-06-16 US disclosed
US-5096932-A Adding polar, protic foaming agent to aromatic diamine and tetracarboxylic acid ester; slurrying, curing ETHYL CORPORATION (US) 1992-03-17 US disclosed
US-5077318-A Adding a foam-enhancing polar protic alcohol or water to the polyimide melt ETHYL CORPORATION (US) 1991-12-31 US disclosed
US-5064867-A Microwaves, Compression ETHYL CORPORATION (US) 1991-11-12 US disclosed
US-4874452-A SUBJECTING CURED POLYIMIDE FOAM TO PRESSURIZED STEAM IMI-TECH CORPORATION (US) 1989-10-17 US disclosed
US-4866104-A FLEXIBILITY, SOFTNESS ETHYL CORPORATION (US) 1989-09-12 US disclosed
US-4855331-A FOAMING BY MICROWAVE RADIATION UNDER A VAPOR IMPERMIABLE SHIEL D ETHYL CORPORATION (US) 1989-08-08 US disclosed
US-4855332-A 2-/VICINAL-DICARBOXYCYCLOHEXENYUL/SUCCINIC ACID ETHYL CORPORATION (US) 1989-08-08 US disclosed
US-4839398-A FLEXIBILITY, COMPRESSIVE STRENGTH, AGING RESISTANCE ETHYL CORPORATION (US) 1989-06-13 US disclosed
US-4826886-A AIRCRAFT SEAT CUSHIONS ETHYL CORPORATION (US) 1989-05-02 US disclosed
US-4822537-A MICROWAVE IRRADIATION OF POLYIMIDE ETHYL CORPORATION (US) 1989-04-18 US disclosed
US-4816493-A TETRACARBOXYLIC ACID, AMINOAROMATIC ACID, ESTER OF DIOL ETHYL CORPORATION (US) 1989-03-28 US disclosed
US-4814357-A Polyimide foams and their preparation ETHYL CORPORATION (US) 1989-03-21 US disclosed
US-4804504-A MICROWAVE RADIATION OF POLYIMIDE PRECURSOR UNDER VAPOR IMPERMEABLE COVERING ETHYL CORPORATION (US) 1989-02-14 US disclosed