SCHEMBL22973669

SCHEMBL22973669

CCC1(C(=O)O)CCC2OC2C1(CC)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
STAT6 P42226 1/20 0.31
HIF1A Q16665 1/20 0.31
NPC1 O15118 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MTOR P42345 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL22973674 0.72 CA2 (0.32)
SCHEMBL4600800 0.71 MAPK1 (0.32) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL28766792 0.69 ALDH1A1 (0.40) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL4601279 0.67 MAPK1 (0.39) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL11866220 0.67 MAPK1 (0.39) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL25402102 0.67 MAPK1 (0.31) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL4652908 0.67 KDM4E (0.33) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL13688280 0.65 FFAR3 (0.41) CYP2C19
SCHEMBL28761894 0.63 NPSR1 (0.44) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL2127745 0.63 MAPK1 (0.39) MAPK1TP53NFKB1CYP2C19THPO

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018115-B2 Polyurethane gel material, polyurethane gel, pseudo-biomaterial, and producing method of polyurethane gel MITSUI CHEMICALS, INC. (JP) 2024-06-25 US disclosed
CN-111936541-B Polyurethane gel material, polyurethane gel, biomimetic material and manufacturing method of polyurethane gel 三井化学株式会社 2022-08-02 CN disclosed
WO-2022145464-A1 CURABLE RESIN COMPOSITION, CURABLE RESIN COMPOSITION FOR 3D PRINTERS, AND CURED RESIN PRODUCT 三井化学株式会社 2022-07-07 WO disclosed
US-20210139639-A1 POLYURETHANE GEL MATERIAL, POLYURETHANE GEL, PSEUDO-BIOMATERIAL, AND PRODUCING METHOD OF POLYURETHANE GEL MITSUI CHEMICALS, INC. (JP) 2021-05-13 US disclosed
US-20210139636-A1 POLYURETHANE GEL MATERIAL, POLYURETHANE GEL, PSEUDO-BIOMATERIAL, AND PRODUCING METHOD OF POLYURETHANE GEL MITSUI CHEMICALS, INC. (JP) 2021-05-13 US disclosed
EP-3778690-A1 POLYURETHANE GEL MATERIAL, POLYURETHANE GEL, PSEUDO-BIOLOGICAL MATERIAL, AND PRODUCTION METHOD FOR POLYURETHANE GEL Mitsui Chemicals, Inc. (JP) 2021-02-17 EP disclosed
EP-3778689-A1 POLYURETHANE GEL MATERIAL, POLYURETHANE GEL, PSEUDO-BIOLOGICAL MATERIAL, AND PRODUCTION METHOD FOR POLYURETHANE GEL Mitsui Chemicals, Inc. (JP) 2021-02-17 EP disclosed
CN-111936541-A Polyurethane gel material, polyurethane gel, biomimetic material and manufacturing method of polyurethane gel 三井化学株式会社 2020-11-13 CN disclosed
CN-111902451-A Polyurethane gel material, polyurethane gel, biomimetic material and manufacturing method of polyurethane gel 三井化学株式会社 2020-11-06 CN disclosed