SCHEMBL8972472

SCHEMBL8972472

O=C(O)CC(O)(CC(=O)OC(=O)C(O)C(O)C(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
ACLY P53396 2/20 0.38
CPT2 P23786 1/20 0.38
TSHR P16473 2/20 0.33
KDM4E B2RXH2 2/20 0.33
SLC13A5 Q86YT5 1/20 0.33
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 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
SCHEMBL28806171 0.98 ALDH1A1 (0.48) ALDH1A1ACLYCPT2TSHRKDM4E
SCHEMBL27675763 0.95 ALDH1A1 (0.56) ALDH1A1ACLYCPT2TSHRKDM4E
Cadaverine Tartrate SCHEMBL27258990 0.94 ALDH1A1 (0.44) ALDH1A1ACLYCPT2TSHRKDM4E
SCHEMBL28102458 0.93 ALDH1A1 (0.54) ALDH1A1ACLYCPT2TSHRKDM4E
Water SCHEMBL27418714 0.90 ALDH1A1 (0.43) ALDH1A1ACLYCPT2KDM4E
Potassium Ion SCHEMBL11228806 0.87 ALDH1A1 (0.47) ALDH1A1ACLYCPT2KDM4ESLC13A5
Cadaverine Tartrate SCHEMBL27661837 0.87 ALDH1A1 (0.50) ALDH1A1ACLYCPT2TSHRKDM4E
Citric Acid SCHEMBL27711430 0.86 ALDH1A1 (0.43) ALDH1A1ACLYCPT2KDM4E
Citric Acid SCHEMBL1553183 0.84 ALDH1A1 (0.71) ALDH1A1ACLYCPT2TSHRKDM4E
Citric Acid SCHEMBL9273485 0.82 ALDH1A1 (0.68) ALDH1A1ACLYCPT2TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115968257-A Solid composition for producing antibacterial, antiviral, antifungal and bactericidal solutions 库尔集团有限公司 2023-04-14 CN disclosed
CN-110372693-B Compound for targeted degradation of BET protein and application thereof 清华大学 2022-05-03 CN disclosed
CN-103172564-B The preparation method of Aripiprazole BEIJING JINGWEI YANKANG PHARMACEUTICAL RESEARCH INSTITUTE CO., LTD. (CN) 2016-04-13 CN disclosed
CN-105051004-A Novel prodrugs and methods of use thereof AUCKLAND UNISERVICES LTD 2015-11-11 CN disclosed
CN-104418941-A Vancomycin derivative, preparation method and application thereof NANJING ACESYS PHARMATECH CO LTD 2015-03-18 CN disclosed
CN-103172564-A Preparation method of aripiprazole JEWIM BEIJING PHARMACEUTICAL INST CO LTD 2013-06-26 CN disclosed
CN-1966548-A Polishing medium for chemical-mechanical polishing, and method of polishing substrate member HITACHI CHEMICAL CO LTD (JP) 2007-05-23 CN disclosed
CN-1086728-C Antioxidant-containing blowing agent OTSUKE PHARMACEUTICAL CO LTD (JP) 2002-06-26 CN disclosed
CN-1037179-C 1,4-benzoxazino derivatives SS PHARMACEUTICAL CO (JP) 1998-01-28 CN disclosed
US-5587376-A ANTIISCHEMIC AGENTS, DECONGESTANTS ALLERGAN (US) 1996-12-24 US disclosed
CN-1135232-A Antioxidant-containing blowing agent OTSUKA PHARMA CO LTD (JP) 1996-11-06 CN disclosed
CN-1095064-A 1, the 4-benzo-oxazine derivative SS PHARMACEUTICAL CO (JP) 1994-11-16 CN disclosed
US-4533668-A N-ARALKYL AND N-ARALKENYLMORANOLINES NIPPON SHINYAKU CO. LTD. (JP) 1985-08-06 US disclosed
US-3940413-A ANTIMYCOTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-02-24 US disclosed