⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL179502 | 0.73 | — | — | |
| SCHEMBL21719668 | 0.73 | HRH4 (0.31) | — | |
| SCHEMBL21719661 | 0.71 | — | — | |
| SCHEMBL21719663 | 0.71 | — | — | |
| SCHEMBL5067990 | 0.71 | HSD17B10 (0.35) | — | |
| SCHEMBL20287905 | 0.71 | — | — | |
| SCHEMBL4284887 | 0.70 | HSD17B10 (0.31) | — | |
| SCHEMBL24175338 | 0.68 | KDM4E (0.31) | — | |
| SCHEMBL21719850 | 0.68 | HSD17B10 (0.33) | — | |
| SCHEMBL3704219 | 0.68 | — | — |
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-8835477-B2 | Method for the synthesis of 2-thiohistidine and the like | TETRAHEDRON (FR) | 2014-09-16 | — | — | US | disclosed |
| US-8399500-B2 | Method of synthesizing ergothioneine and analogs | TETRAHEDRON (FR) | 2013-03-19 | — | — | US | disclosed |
| US-8399500-B2 | Method of synthesizing ergothioneine and analogs | TETRAHEDRON (FR) | 2013-03-19 | — | — | US | disclosed |
| US-20120330029-A1 | METHOD FOR THE SYNTHESIS OF 2-THIOHISTIDINE AND THE LIKE | TETRAHEDRON (FR) | 2012-12-27 | — | — | US | disclosed |
| US-20120330029-A1 | METHOD FOR THE SYNTHESIS OF 2-THIOHISTIDINE AND THE LIKE | TETRAHEDRON (FR) | 2012-12-27 | — | — | US | disclosed |
| US-20120136159-A1 | THE METHOD OF SYNTHESIZING ERGOTHIONEINE AND ANALOGS | TERTRAHEDRON (FR) | 2012-05-31 | — | — | US | disclosed |
| US-20120136159-A1 | THE METHOD OF SYNTHESIZING ERGOTHIONEINE AND ANALOGS | TERTRAHEDRON (FR) | 2012-05-31 | — | — | US | disclosed |