SCHEMBL2126303

SCHEMBL2126303

C=CCC(C(=O)[O-])(C(C)(O)O)[N+](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.36
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL18037750 0.82 BBOX1 (0.34) BBOX1ALDH1A1TSHR
SCHEMBL15553114 0.75 BBOX1 (0.39) BBOX1
SCHEMBL6451818 0.70 CA4 (0.34) BBOX1ALDH1A1TSHR
SCHEMBL1075301 0.69 BBOX1 (0.38) BBOX1
SCHEMBL8584513 0.69 BBOX1 (0.38) BBOX1
SCHEMBL5134436 0.69 BBOX1 (0.35) BBOX1
SCHEMBL332249 0.69 FDPS (0.39)
SCHEMBL14801394 0.69 FDPS (0.39)
SCHEMBL1833476 0.69 FDPS (0.39)
SCHEMBL5073914 0.69 FDPS (0.39)

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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118325678-A Water-based aircraft outer surface cleaning agent 江西能洁化工有限公司 2024-07-12 CN claimed
CN-115947947-B Functional finishing agent copolymer and preparation method thereof 浙江震东新材料有限公司 2023-10-31 CN claimed
CN-116474737-A Preparation method and application of organic modified bentonite 北京化工大学 2023-07-25 CN claimed
CN-115947947-A Functional finishing agent copolymer and preparation method thereof 浙江震东新材料有限公司 2023-04-11 CN claimed
CN-110592605-A Heavy oil stain cleaning agent for metal surface 江苏斯尔邦石化有限公司 2019-12-20 CN claimed
EP-3604357-B1 4-METHYL-1-PENTENE POLYMER, RESIN COMPOSITION, AND MOLDED ARTICLE MITSUI CHEMICALS INC (JP) 2024-07-17 EP disclosed
CN-118325678-A Water-based aircraft outer surface cleaning agent 江西能洁化工有限公司 2024-07-12 CN disclosed
US-20240207163-A1 RETINOL DERIVATIVE COMPOSITION AND USE THEREOF INERTIA SHANGHAI BIOTECHNOLOGY CO LTD (CN) 2024-06-27 US disclosed
US-20240084119-A1 RESIN COMPOSITION AND MOLDED ARTICLE MITSUI CHEMICALS, INC. (JP) 2024-03-14 US disclosed
WO-2024048524-A1 ANTISTATIC AGENT, ANTISTATIC AGENT COMPOSITION CONTAINING SAME, ANTISTATIC RESIN COMPOSITION CONTAINING SAID ANTISTATIC AGENT OR SAID ANTISTATIC AGENT COMPOSITION, AND MOLDED BODY AND FILM THEREOF 株式会社ADEKA 2024-03-07 WO disclosed
CN-114651044-B Resin composition and molded article 三井化学株式会社 2024-02-20 CN disclosed
EP-3434729-B1 STRETCHABLE STRUCTURE, MULTILAYERED STRETCHABLE SHEET, SPUN YARN, AND FIBER STRUCTURE MITSUI CHEMICALS INC (JP) 2024-02-14 EP disclosed
US-6710016-B2 Thermal transfer sheet DAI NIPPON PRINTING CO., LTD. (JP) 2004-03-23 US disclosed
EP-0781835-B1 Use of coconut oil fatty acid acyl glutamine in detergent compositions KYOWA HAKKO KOGYO KK (JP) 2003-12-10 EP disclosed
US-20020127378-A1 Thermal transfer sheet DAI NIPPON PRINTING CO. 2002-09-12 US disclosed
EP-1219461-A1 Thermal transfer sheet DAI NIPPON PRINTING CO., LTD. (JP) 2002-07-03 EP disclosed
US-6350783-B2 CLEANING COMPOUND IS A N-LONG CHAIN ACYLAMINO ACID OR SALTS THEREOF, WHERE LONG CHAIN IS COCONUT OIL FATTY ACID OR PALM KERNEL OIL FATTY ACID, AND THE AMINO ACID IS GLUTAMINE OR ASPARAGINE KYOWA HAKKO KOGYO (JP) 2002-02-26 US disclosed
US-20010055576-A1 CLEANSING COMPOSITION HONDA SHINKICHI (JP) 2001-12-27 US disclosed
US-6288023-B1 CLEANING OBJECT, I.E., SKIN, HAIR OR KITCHENWARE, WITH N-COCONUT OIL FATTY ACID ACYL GLUTAMINE AND RINSING WITH WATER KYOWA HAKKO KOGYO, CO., LTD. (JP) 2001-09-11 US disclosed
EP-0781835-A1 DETERGENT COMPOSITION KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010055576-A1 CLEANSING COMPOSITION ELOVL1, ELOVL5, SGMS1 BBOX1 1076/4885ALDH1A1 720/4885TSHR 4654/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.