⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16409179 | 0.80 | — | — | |
| SCHEMBL353800 | 0.80 | — | — | |
| SCHEMBL13766587 | 0.78 | EPHX1 (0.32) | — | |
| SCHEMBL19153994 | 0.78 | — | — | |
| SCHEMBL13591232 | 0.76 | EPHX1 (0.31) | — | |
| SCHEMBL782171 | 0.76 | — | — | |
| SCHEMBL6059982 | 0.76 | — | — | |
| SCHEMBL8628764 | 0.76 | EPHX1 (0.38) | — | |
| SCHEMBL10420986 | 0.75 | — | — | |
| SCHEMBL16407748 | 0.75 | CYP3A4 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9630989-B2 | Dipeptide analogs for treating conditions associated with amyloid fibril formation | RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) | 2017-04-25 | — | — | US | disclosed |
| US-9096645-B2 | Dipeptide analogs for treating conditions associated with amyloid fibril formation | RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) | 2015-08-04 | — | — | US | disclosed |
| WO-2015005901-A1 | COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-01-15 | — | — | WO | disclosed |
| US-8163763-B2 | Pyrimidine compounds, compositions and methods of use | GENENTECH, INC. (US) | 2012-04-24 | — | — | US | disclosed |