⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1178749 | 0.78 | — | — | |
| SCHEMBL30182003 | 0.78 | — | — | |
| SCHEMBL2260290 | 0.78 | — | — | |
| SCHEMBL13054779 | 0.75 | MAPT (0.49) | — | |
| SCHEMBL5412057 | 0.75 | MAPT (0.49) | — | |
| SCHEMBL10508172 | 0.73 | EGLN3 (0.45) | — | |
| SCHEMBL7467004 | 0.73 | — | — | |
| SCHEMBL5899076 | 0.73 | EGLN3 (0.55) | — | |
| SCHEMBL9921275 | 0.73 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL2825103 | 0.71 | CYP1A2 (0.53) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160237059-A1 | HETEROCYCLIC SUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-08-18 | — | — | US | 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 |