⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7556714 | 0.74 | — | — | |
| SCHEMBL10952271 | 0.73 | TSHR (0.36) | — | |
| SCHEMBL14682782 | 0.73 | TDP1 (0.38) | — | |
| SCHEMBL8462465 | 0.72 | — | — | |
| SCHEMBL7670774 | 0.72 | — | — | |
| SCHEMBL14721693 | 0.71 | — | — | |
| SCHEMBL14682776 | 0.70 | — | — | |
| SCHEMBL15802698 | 0.70 | — | — | |
| Isopropylamine SCHEMBL29208190 | 0.70 | GAPDH (0.30) | — | |
| SCHEMBL5931933 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7524855-B2 | Selected benzofuran derivatives | ARPIDA AG (CH) | 2009-04-28 | — | — | US | claimed |
| US-8921571-B2 | Pyrrolysine analogs | THE OHIO STATE UNIVERSITY (US) | 2014-12-30 | — | — | US | disclosed |
| US-20130035478-A1 | PYRROLYSINE ANALOGS | THE OHIO STATE UNIVERSITY (US) | 2013-02-07 | — | — | US | disclosed |