SCHEMBL29812971

SCHEMBL29812971

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.75
NR5A2 O00482 2/20 0.71
NR5A1 Q13285 2/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
MAPT P10636 1/20 0.64
RECQL P46063 1/20 0.57
FABP3 P05413 1/20 0.56
SELP P16109 1/20 0.53
ADRA1D P25100 1/20 0.52
PTAFR P25105 1/20 0.52
HTR1D P28221 1/20 0.52
HTR2C P28335 1/20 0.52
ADRA1B P35368 1/20 0.52
DRD3 P35462 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
MEN1 O00255 1/20 0.50
S1PR1 P21453 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL31615955 0.98 ALDH1A1 (0.75) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL15155435 0.97 ALDH1A1 (0.77) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL31276168 0.97 ALDH1A1 (0.79) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL31073858 0.97 ALDH1A1 (0.77) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL2126229 0.96 SMN1; SMN2 (0.79) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL31516010 0.96 ALDH1A1 (0.79) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL31681691 0.96 ALDH1A1 (0.79) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL2125985 0.96 SMN1; SMN2 (0.79) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL2734218 0.96 SMN1; SMN2 (0.79) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT
SCHEMBL31515947 0.96 ALDH1A1 (0.79) ALDH1A1NR5A2NR5A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119534671-A Application of composition in preparation of medicines for diagnosing infantile hemangioma and/or monitoring progress and prognosis of infantile hemangioma 江成鸿 2025-02-28 CN claimed
US-20240168029-A1 APPLICATION OF COMPOSITION IN PREPARATION OF DRUG FOR DIAGNOSING INFANTILE HEMANGIOMA AND/OR MONITORING PROGRESS AND PROGNOSIS THEREOF, AND KIT AND DRUG JIANG CHENGHONG (CN) 2024-05-23 US claimed
EP-4306960-A1 APPLICATION OF COMPOSITION IN PREPARATION OF DRUG FOR DIAGNOSING INFANTILE HEMANGIOMA AND/OR MONITORING PROGRESS AND PROGNOSIS THEREOF, AND KIT AND DRUG Jiang, Chenghong (CN) 2024-01-17 EP claimed
CN-117043603-A Application of composition in preparation of medicines for diagnosing infantile hemangioma and/or monitoring progress and prognosis of infantile hemangioma, kit and medicines 江成鸿 2023-11-10 CN claimed
CN-116413355-A Method for identifying flavor quality difference of fresh frozen fish and compound feed fattening on river crabs 江苏好润生物产业集团股份有限公司 2023-07-11 CN claimed
WO-2022188746-A1 APPLICATION OF COMPOSITION IN PREPARATION OF DRUG FOR DIAGNOSING INFANTILE HEMANGIOMA AND/OR MONITORING PROGRESS AND PROGNOSIS THEREOF, AND KIT AND DRUG 江成鸿 2022-09-15 WO claimed
CN-115032286-A Application of composition in preparation of medicine for diagnosing infantile hemangioma and/or monitoring progression and prognosis of infantile hemangioma, kit and medicine 江成鸿 2022-09-09 CN claimed
CN-119534671-A Application of composition in preparation of medicines for diagnosing infantile hemangioma and/or monitoring progress and prognosis of infantile hemangioma 江成鸿 2025-02-28 CN disclosed
CN-115032286-B Application of composition in preparation of medicines for diagnosing infantile hemangioma and/or monitoring progress and prognosis of infantile hemangioma, kit and medicines 江成鸿 2024-08-13 CN disclosed
US-20240168029-A1 APPLICATION OF COMPOSITION IN PREPARATION OF DRUG FOR DIAGNOSING INFANTILE HEMANGIOMA AND/OR MONITORING PROGRESS AND PROGNOSIS THEREOF, AND KIT AND DRUG JIANG CHENGHONG (CN) 2024-05-23 US disclosed
EP-4306960-A1 APPLICATION OF COMPOSITION IN PREPARATION OF DRUG FOR DIAGNOSING INFANTILE HEMANGIOMA AND/OR MONITORING PROGRESS AND PROGNOSIS THEREOF, AND KIT AND DRUG Jiang, Chenghong (CN) 2024-01-17 EP disclosed
CN-117043603-A Application of composition in preparation of medicines for diagnosing infantile hemangioma and/or monitoring progress and prognosis of infantile hemangioma, kit and medicines 江成鸿 2023-11-10 CN disclosed
CN-116413355-A Method for identifying flavor quality difference of fresh frozen fish and compound feed fattening on river crabs 江苏好润生物产业集团股份有限公司 2023-07-11 CN disclosed
WO-2022188746-A1 APPLICATION OF COMPOSITION IN PREPARATION OF DRUG FOR DIAGNOSING INFANTILE HEMANGIOMA AND/OR MONITORING PROGRESS AND PROGNOSIS THEREOF, AND KIT AND DRUG 江成鸿 2022-09-15 WO disclosed
CN-115032286-A Application of composition in preparation of medicine for diagnosing infantile hemangioma and/or monitoring progression and prognosis of infantile hemangioma, kit and medicine 江成鸿 2022-09-09 CN disclosed