⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2720035 | 1.00 | — | — | |
| SCHEMBL6129577 | 1.00 | — | — | |
| SCHEMBL5084435 | 0.79 | TDP1 (0.43) | — | |
| SCHEMBL15308391 | 0.76 | TSHR (0.43) | — | |
| SCHEMBL1162120 | 0.75 | FNTA (0.37) | — | |
| SCHEMBL16994566 | 0.74 | — | — | |
| SCHEMBL18709935 | 0.74 | — | — | |
| SCHEMBL5674658 | 0.74 | — | — | |
| SCHEMBL4079703 | 0.74 | — | — | |
| SCHEMBL7684646 | 0.74 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170151153-A1 | POWERFUL HAIR TREATMENT AGENT WITH ANTI-WASHOUT EFFECT | HENKEL AG & CO. KGAA (DE) | 2017-06-01 | — | — | US | disclosed |
| US-20170151145-A1 | POWERFUL HAIR TREATMENT AGENT HAVING ANTI-WASHOUT EFFECT | HENKEL AG & CO. KGAA (DE) | 2017-06-01 | — | — | US | disclosed |
| WO-2015101628-A1 | WATER SOLUBLE CRYSTALLIN SALTS OF CERTAIN HARRINGTONINES UNAMBIGUOUSLY PROTONATED ON THEIR ALKALOID NITROGEN AND THEIR USE AS CHEMOTHERAPEUTIC DRUGS | ROBIN JEAN-PIERRE (CH) | 2015-07-09 | — | — | WO | disclosed |
| US-8188011-B1 | Optimization of ligand affinity for RNA targets using mass spectrometry | ISIS PHARMACEUTICALS, INC. (US) | 2012-05-29 | — | — | US | disclosed |
| US-20050142581-A1 | Microrna as ligands and target molecules | ISIS PHARMACEUTICALS, INC. | 2005-06-30 | — | — | US | disclosed |
| WO-2005023986-A2 | MICRORNA AS LIGANDS AND TARGET MOLECULES | ISIS PHARMACEUTICALS, INC. (US) | 2005-03-17 | — | — | WO | disclosed |
| EP-1183091-A4 | OPTIMIZATION OF LIGAND AFFINITY FOR RNA TARGETS USING MASS SPECTROMETRY | ISIS PHARMACEUTICALS INC (US) | 2005-03-02 | — | — | EP | disclosed |
| US-6770486-B1 | IDENTIFICATION OF LIGAND COMPOUNDS THAT BIND TO TARGET MOLECULES SUCH AS PROTEINS OR STRUCTURED RNA WITH AS LITTLE AS MILLIMOLAR (MM) AFFINITY USING MASS SPECTROMETRY | ISIS PHARMACEUTICALS, INC. | 2004-08-03 | — | — | US | disclosed |
| EP-1183091-A1 | OPTIMIZATION OF LIGAND AFFINITY FOR RNA TARGETS USING MASS SPECTROMETRY | ISIS PHARMACEUTICALS, INC. (US) | 2002-03-06 | — | — | EP | disclosed |
| WO-2001058573-A1 | OPTIMIZATION OF LIGAND AFFINITY FOR RNA TARGETS USING MASS SPECTROMETRY | ISIS PHARMACEUTICALS, INC. (US) | 2001-08-16 | — | — | WO | disclosed |