SCHEMBL29136874

SCHEMBL29136874

O=C(O)C(C(F)C(F)F)(C(F)C(F)F)P(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
LMNA P02545 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
SCHEMBL1792631 0.74 PTPN1 (0.32) LMNA
SCHEMBL8002993 0.70 CYP1A2 (0.34) LMNA
Phosphoric Acid SCHEMBL28447889 0.70 KDM4E (0.33)
SCHEMBL10385549 0.67 TSHR (0.38)
SCHEMBL458686 0.67 PGK1 (0.33) PGK1PGK2LMNA
SCHEMBL28420318 0.64 LMNA (0.35) PGK1PGK2LMNA
SCHEMBL719463 0.64 ALDH1A1 (0.32)
SCHEMBL10596050 0.62 LMNA (0.40) PGK1PGK2LMNA
SCHEMBL8895794 0.62 LMNA (0.40) PGK1PGK2LMNA
SCHEMBL15707796 0.62 LMNA (0.40) PGK1PGK2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117800912-A Synthesis method of geldanamycin derivatives 中国医学科学院药物研究所 2024-04-02 CN claimed
CN-111801833-B Nonaqueous electrolyte and energy device using same 三菱化学株式会社 2024-07-16 CN disclosed
CN-111433211-B Synthesis of halichondrin 哈佛大学的校长及成员们 2024-05-07 CN disclosed
CN-117800912-A Synthesis method of geldanamycin derivatives 中国医学科学院药物研究所 2024-04-02 CN disclosed
CN-117800913-A Geldanamycin derivatives and application thereof 中国医学科学院药物研究所 2024-04-02 CN disclosed
CN-111788733-B Nonaqueous electrolyte and power storage device using same 三菱化学株式会社 2024-02-02 CN disclosed
CN-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 CN disclosed