SCHEMBL3043418

SCHEMBL3043418

CCCCCCCCCCCCN[C@@H](CCCNC(=N)N)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SPHK1 Q9NYA1 3/20 0.40
NOD1 Q9Y239 4/20 0.40
RRM1 P23921 1/20 0.40
EPHX1 P07099 6/20 0.40
DPP7 Q9UHL4 1/20 0.39
FAAH O00519 1/20 0.38
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38

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
SCHEMBL23549407 1.00 TSHR (0.41) TSHRSIRT6SIRT1SPHK1NOD1
Hydrochloric Acid SCHEMBL3043413 0.99 SPHK1 (0.42) TSHRSIRT6SIRT1SPHK1NOD1
Hydrochloric Acid SCHEMBL10931245 0.99 SPHK1 (0.42) TSHRSIRT6SIRT1SPHK1NOD1
SCHEMBL368705 0.99 DPP7 (0.40) TSHRSIRT6SIRT1SPHK1NOD1
Dodecanoate SCHEMBL31230463 0.93 PLA2G2A (0.44) NOD1
SCHEMBL23752089 0.91 EPHX1 (0.44) SIRT6SIRT1SPHK1NOD1RRM1
SCHEMBL27743938 0.91 EPHX1 (0.44) SIRT6SIRT1SPHK1NOD1RRM1
SCHEMBL23752090 0.91 EPHX1 (0.44) SIRT6SIRT1SPHK1NOD1RRM1
SCHEMBL368948 0.90 DPP7 (0.39) SIRT6SIRT1SPHK1NOD1RRM1
SCHEMBL8017621 0.86 CAD (0.38) TSHRNOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119968118-A Biocidal compositions 3M创新有限公司 2025-05-09 CN claimed
CN-116120396-A Polypeptide and application thereof in preparation of preservative 华南协同创新研究院 2023-05-16 CN claimed
CN-103784340-A High fluoride ion oral care composition and method for maintaining anticaries activity COLGATE PALMOLIVE CO 2014-05-14 CN claimed
CN-101484123-A High fluoride ion oral care compositions and methods for maintaining anticaries activity COLGATE PALMOLIVE CO (US) 2009-07-15 CN claimed
US-20260028552-A1 Cationic Surfactants with Improved pH Stability and Their Use LOCUS SOLUTIONS IPCO LLC (US) 2026-01-29 US disclosed
EP-4673426-A1 FUNCTIONALIZED BIODEGRADABLE SURFACTANTS AND METHODS USE Locus Solutions IPCO, LLC (US) 2026-01-07 EP disclosed
EP-4565709-A1 CATIONIC SURFACTANTS WITH IMPROVED PH STABILITY AND THEIR USE Locus Solutions IPCO, LLC (US) 2025-06-11 EP disclosed
CN-119968118-A Biocidal compositions 3M创新有限公司 2025-05-09 CN disclosed
CN-119744164-A Odor and colorant stable compositions 西姆莱斯股份公司 2025-04-01 CN disclosed
CN-119000153-A Sample analysis device and use thereof 上海宜晟生物科技有限公司 2024-11-22 CN disclosed
CN-118973550-A Hyperbranched dextrins for topical use for preventing or treating at least one symptom of skin inflammation 罗盖特公司 2024-11-15 CN disclosed
US-20240301322-A1 FUNCTIONALIZED BIODEGRADABLE SURFACTANTS AND METHODS USE LOCUS SOLUTIONS IPCO LLC (US) 2024-09-12 US disclosed
WO-2016077464-A1 AMINO ACID DERIVATIVES AND THEIR USES JOHNSON & JOHNSON CONSUMER INC. (US) 2016-05-19 WO disclosed
WO-2016060562-A1 PRESERVATION OF MEAT PRODUCTS PURAC BIOCHEM B.V. (NL) 2016-04-21 WO disclosed
WO-2016056904-A1 PRESERVATION OF MEAT PRODUCTS PURAC BIOCHEM B.V. (NL) 2016-04-14 WO disclosed
CN-103784340-A High fluoride ion oral care composition and method for maintaining anticaries activity COLGATE PALMOLIVE CO 2014-05-14 CN disclosed
US-20130059929-A1 MICROBIOLOGICALLY STABLE, EASILY APPLICABLE PREPARATIONS BEIERSDORF AG (DE) 2013-03-07 US disclosed
US-20100215816-A1 Antimicrobial Composition And Its Use In Ready-To-Drink Beverages KRAFT FOODS GLOBAL BRANDS LLC 2010-08-26 US disclosed
CN-101484123-A High fluoride ion oral care compositions and methods for maintaining anticaries activity COLGATE PALMOLIVE CO (US) 2009-07-15 CN disclosed
WO-2008119064-A1 ANTIMICROBIAL COMPOSITION AND ITS USE IN READY-TO-DRINK BEVERAGES KRAFT FOODS HOLDINGS, INC. (US) 2008-10-02 WO 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 (2 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-20260028552-A1 Cationic Surfactants with Improved pH Stability and Their Use CTSD, SURF4, CFD TSHR 2467/4885SIRT6 3731/4885SIRT1 3483/4885
US-20130059929-A1 MICROBIOLOGICALLY STABLE, EASILY APPLICABLE PREPARATIONS PIR, CRAT, OR51E2 TSHR 4187/4885SIRT6 1982/4885SIRT1 2148/4885

“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.