1,4-Butanediol

1,4-Butanediol

SCHEMBL18339495

C=C(Cl)c1ccccc1.OCCCCO

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
TSHR P16473 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
ALDH1A1 P00352 2/20 0.37
HIF1A Q16665 2/20 0.37
TRPA1 O75762 1/20 0.37
MAPK1 P28482 1/20 0.37
GSK3B P49841 1/20 0.37
TBXAS1 P24557 1/20 0.37
POLB P06746 1/20 0.36
ESR2 Q92731 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL146641 0.85
Hydrochloric Acid SCHEMBL9048930 0.83 MAOA (0.43) TSHRMAOAMAOBALDH1A1HIF1A
Water SCHEMBL28018801 0.83 CES2 (0.41) TDP1TSHRMAOAMAOBALDH1A1
Formaldehyde SCHEMBL27743712 0.80 CES1 (0.46) TDP1TSHRALDH1A1HIF1ATRPA1
Methyl Alcohol SCHEMBL27519850 0.80 MEN1 (0.41) TSHRMAOAMAOBALDH1A1HIF1A
Tetraethylene Glycol SCHEMBL1618780 0.79 SMN1; SMN2 (0.44) TDP1TSHRALDH1A1MAPK1L3MBTL1
SCHEMBL16795568 0.76 MAOA (0.45) TDP1MAOAMAOBALDH1A1MAPK1
Benzoic Acid SCHEMBL23294763 0.74 TSHR (0.67) TSHRALDH1A1HIF1ATRPA1MAPK1
SCHEMBL13316192 0.74 L3MBTL1 (0.47) TDP1MAOAMAOBTBXAS1ESR2
SCHEMBL19074334 0.73 ALDH1A1 (0.64) TDP1TSHRALDH1A1L3MBTL1LMNA

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-10131805-B2 Ink, ink stored container, inkjet recording apparatus, and printed matter RICOH COMPANY, LTD. (JP) 2018-11-20 US disclosed
US-9938421-B2 Set of ink and print medium, inkjet printing method, inkjet printing apparatus, printed matter, ink, and ink stored container RICOH COMPANY, LTD. (JP) 2018-04-10 US disclosed
US-20170022381-A1 SET OF INK AND PRINT MEDIUM, INKJET PRINTING METHOD, INKJET PRINTING APPARATUS, PRINTED MATTER, INK, AND INK STORED CONTAINER RICOH COMPANY, LTD. (JP) 2017-01-26 US disclosed
US-20160376455-A1 INK, INK STORED CONTAINER, INKJET RECORDING APPARATUS, AND PRINTED MATTER RICOH COMPANY, LTD. (JP) 2016-12-29 US disclosed