⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL170250 | 0.79 | NPSR1 (0.36) | — | |
| SCHEMBL536474 | 0.78 | CYP1A2 (0.37) | — | |
| SCHEMBL535957 | 0.77 | CYP1A2 (0.33) | — | |
| SCHEMBL20165 | 0.71 | DHFR (0.33) | — | |
| SCHEMBL1665906 | 0.71 | PNP (0.31) | — | |
| SCHEMBL18132313 | 0.70 | — | — | |
| SCHEMBL9706665 | 0.70 | DPYD (0.44) | — | |
| SCHEMBL26506 | 0.70 | SUMO1 (0.36) | — | |
| SCHEMBL2512344 | 0.70 | SUMO1 (0.36) | — | |
| SCHEMBL2938692 | 0.70 | PNP (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8822146-B2 | Derivatization of biomolecules by covalent coupling of non-cofactor compounds using methyltransferases | VILNIUS UNIVERSITY (LT) | 2014-09-02 | — | — | US | disclosed |
| EP-2414528-B1 | DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES | UNIV VILNIUS (LT) | 2014-05-07 | — | — | EP | disclosed |
| US-20120094280-A1 | DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES | BIOTECHNOLOGIJOS INSTITUTAS (LT) | 2012-04-19 | — | — | US | disclosed |
| EP-2414528-A1 | DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES | Biotechnologijos Institutas (LT) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010115846-A1 | DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES | BIOTECHNOLOGIJOS INSTITUTAS (LT) | 2010-10-14 | — | — | WO | disclosed |