1,5-Pentanediol

1,5-Pentanediol

SCHEMBL29088658

O=C(O)CCS.O=C(O)CCS.OCCCCCO

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.67
FFAR1 O14842 1/20 0.67
FFAR4 Q5NUL3 1/20 0.67
CAMK2A Q9UQM7 1/20 0.57
FOLH1 Q04609 4/20 0.52
ACE P12821 1/20 0.50
LMNA P02545 3/20 0.48
TSHR P16473 2/20 0.48
NFKB1 P19838 1/20 0.48
PMP22 Q01453 1/20 0.48
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
SLC22A6 Q4U2R8 2/20 0.43
GSTK1 Q9Y2Q3 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARG P37231 2/20 0.39

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
Mercaptopropionic Acid SCHEMBL15379275 1.00 GPR84 (0.67) GPR84FFAR1FFAR4CAMK2AFOLH1
1,6-Hexanediol SCHEMBL998036 1.00 GPR84 (0.67) GPR84FFAR1FFAR4CAMK2AFOLH1
Mercaptopropionic Acid SCHEMBL15380254 1.00 GPR84 (0.67) GPR84FFAR1FFAR4CAMK2AFOLH1
Mercaptopropionic Acid SCHEMBL552238 0.97 GPR84 (0.62) GPR84FFAR1FFAR4CAMK2AFOLH1
Mercaptopropionic Acid SCHEMBL25301983 0.92 FOLH1 (0.64) GPR84FFAR1FFAR4CAMK2AFOLH1
Mercaptopropionic Acid SCHEMBL997923 0.92 CAMK2A (0.60) GPR84FFAR1FFAR4CAMK2AFOLH1
Octacosanol SCHEMBL29285284 0.89 GPR84 (0.58) GPR84FFAR1FFAR4LMNATSHR
Mercaptopropionic Acid SCHEMBL28714218 0.86 ACE (0.57) GPR84FFAR1FFAR4CAMK2AFOLH1
Mercaptopropionic Acid SCHEMBL30556234 0.86 ACE (0.57) GPR84FFAR1FFAR4CAMK2AFOLH1
Mercaptopropionic Acid SCHEMBL2227412 0.86 ACE (0.57) GPR84FFAR1FFAR4CAMK2AFOLH1

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
CN-113956477-B Curing composition and application thereof, and cured polymer material and preparation method and application thereof 中国石油化工股份有限公司 2023-10-13 CN claimed
CN-113956477-B Curing composition and application thereof, and cured polymer material and preparation method and application thereof 中国石油化工股份有限公司 2023-10-13 CN disclosed