SCHEMBL5718229

SCHEMBL5718229

O=C1CCC(=O)OOCCO1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL45244 0.83 TSHR (0.71) TSHRALDH1A1LMNATP53CA1
SCHEMBL12158591 0.83 TSHR (0.71) TSHRALDH1A1LMNATP53CA1
SCHEMBL31439256 0.80 TSHR (0.67) TSHRALDH1A1LMNATP53CA1
SCHEMBL29026190 0.79 ALDH1A1 (0.36) TSHRALDH1A1LMNATP53CA1
SCHEMBL7170271 0.78 CA1 (0.73) TSHRALDH1A1LMNATP53CA1
SCHEMBL114386 0.77
SCHEMBL29228018 0.76 TSHR (0.45) TSHRALDH1A1LMNATP53CA1
SCHEMBL11997762 0.75 LMNA (0.59) TSHRALDH1A1LMNATP53CA1
SCHEMBL8060202 0.75 LMNA (0.59) TSHRALDH1A1LMNATP53CA1
SCHEMBL28344507 0.75 CA1 (0.78) TSHRALDH1A1LMNATP53CA1

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
EP-0971743-B1 STABILIZED MEDICAMENTS CONTAINING CYSTEINYL DERIVATIVES STANISLAUS FRITZ (DE) 2006-07-12 EP claimed
CN-113302226-A Hydroxyl urethane (meth) acrylate prepolymers for use in 3D printing 巴斯夫欧洲公司 2021-08-24 CN disclosed
CN-1190431-C Production method of (per-rac) alpha tocopherol DSM IP N V (NL) 2005-02-23 CN disclosed
CN-1365977-A Production method of (per-rac) alpha tocopherol ROCHE VITAMIN AG (CH) 2002-08-28 CN disclosed