⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4094067 | 0.84 | — | — | |
| SCHEMBL4094269 | 0.82 | CA1 (0.41) | — | |
| SCHEMBL4093703 | 0.82 | MEN1 (0.39) | — | |
| SCHEMBL4111851 | 0.80 | CA1 (0.43) | — | |
| SCHEMBL4098889 | 0.80 | CA1 (0.43) | — | |
| SCHEMBL4100814 | 0.78 | — | — | |
| SCHEMBL14818518 | 0.78 | NAAA (0.50) | — | |
| SCHEMBL4100493 | 0.77 | TSHR (0.42) | — | |
| SCHEMBL16218777 | 0.76 | — | — | |
| SCHEMBL349640 | 0.76 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9365615-B2 | Cross-linked peptides containing non-peptide cross-linked structure, method for synthesizing cross-linked peptides, and novel organic compound used in method | JITSUBO CO., LTD. (JP) | 2016-06-14 | — | — | US | disclosed |
| US-20150073121-A1 | NOVEL CROSS-LINKED PEPTIDES CONTAINING NON-PEPTIDE CROSS-LINKED STRUCTURE, METHOD FOR SYNTHESIZING CROSS-LINKED PEPTIDES, AND NOVEL ORGANIC COMPOUND USED IN METHOD | JITSUBO CO., LTD. (JP) | 2015-03-12 | — | — | US | disclosed |
| EP-2234965-A1 | CREATINOL-FATTY ACID ESTERS | Northern Innovations and Formulations Corp. (CA) | 2010-10-06 | — | — | EP | disclosed |
| US-20090194124-A1 | Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine | MALLE GERARD | 2009-08-06 | — | — | US | disclosed |
| WO-2009076741-A1 | CREATINOL-FATTY ACID ESTERS | MULTI FORMULATIONS LTD. (CA) | 2009-06-25 | — | — | WO | disclosed |
| US-20090139537-A1 | HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE | L'OREAL S.A. | 2009-06-04 | — | — | US | disclosed |
| US-20070060582-A1 | 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases | FINK CYNTHIA A | 2007-03-15 | — | — | 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 |