⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22009619 | 1.00 | — | — | |
| SCHEMBL21415644 | 0.83 | CA1 (0.31) | — | |
| SCHEMBL15926951 | 0.79 | — | — | |
| SCHEMBL21652432 | 0.77 | — | — | |
| SCHEMBL868361 | 0.77 | — | — | |
| SCHEMBL21227261 | 0.77 | — | — | |
| SCHEMBL16378441 | 0.77 | — | — | |
| SCHEMBL12247336 | 0.77 | — | — | |
| SCHEMBL11757816 | 0.72 | — | — | |
| SCHEMBL19144171 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2970114-B1 | IDO INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2019-05-15 | — | — | EP | disclosed |
| EP-2970155-B1 | INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE (IDO) | BRISTOL MYERS SQUIBB CO (US) | 2018-04-25 | — | — | EP | disclosed |
| US-9676763-B2 | Method of treating Ebola | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2017-06-13 | — | — | US | disclosed |
| WO-2012031090-A2 | SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2012-03-08 | — | — | WO | disclosed |
| US-3971825-A | (5,6) (10,11) BIS-METHYLENE, BRONCHODILATORS | SANKYO COMPANY LIMITED (JA) | 1976-07-27 | — | — | US | disclosed |