SCHEMBL4113643

SCHEMBL4113643

CCOCCNC(=N)NC(=N)N

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.32

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
Hydrochloric Acid SCHEMBL9668283 0.98 EPHX2 (0.33) EPHX2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL29707861 0.95 MEN1 (0.33) EPHX2ALDH1A1
SCHEMBL4099120 0.89 TSHR (0.43) ALDH1A1TSHR
SCHEMBL12133999 0.86 MEN1 (0.35) ALDH1A1
SCHEMBL1427853 0.84
SCHEMBL4104836 0.83 ALDH1A1 (0.42) EPHX2ALDH1A1TSHR
Iodide SCHEMBL30108898 0.82 MEN1 (0.37) EPHX2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL4966370 0.82 ALDH1A1 (0.37) EPHX2ALDH1A1TSHR
SCHEMBL12133997 0.81 MEN1 (0.34)
SCHEMBL4093678 0.81 TSHR (0.39) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116034994-A Disinfection mother liquor and raw material composition, preparation method and application thereof 上海明涌新材料有限公司 2023-05-02 CN claimed
CN-1065453-A Biguanide derivative, its manufacture method and the Herb of Common violet that contains this derivative OTSUKA CHEMICAL CO LTD (JP) 1992-10-21 CN claimed
CN-116034994-A Disinfection mother liquor and raw material composition, preparation method and application thereof 上海明涌新材料有限公司 2023-05-02 CN disclosed
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine MALLE GERARD 2009-08-06 US disclosed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US disclosed
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin L'OREAL S.A. (FR) 2005-06-23 US disclosed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 US disclosed
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP disclosed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 EP disclosed
CN-1038248-C Diguanide derivatives, process of preparation thereof and disinfetants containing them OTSUKA CHEMCIAL CO LTD (JP) 1998-05-06 CN disclosed
CN-1065453-A Biguanide derivative, its manufacture method and the Herb of Common violet that contains this derivative OTSUKA CHEMICAL CO LTD (JP) 1992-10-21 CN 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 (4 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-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA EPHX2 3781/4885ALDH1A1 1963/4885TSHR 1694/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 EPHX2 2648/4885ALDH1A1 1279/4885TSHR 3766/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 EPHX2 2936/4885ALDH1A1 1073/4885TSHR 3770/4885
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin BHMT, KRT18, INMT EPHX2 3448/4885ALDH1A1 1610/4885TSHR 1691/4885

“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.