⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12616434 | 1.00 | — | — | |
| SCHEMBL12297440 | 1.00 | — | — | |
| SCHEMBL7069627 | 1.00 | — | — | |
| SCHEMBL12527823 | 1.00 | — | — | |
| SCHEMBL12291406 | 1.00 | — | — | |
| SCHEMBL14339340 | 1.00 | — | — | |
| SCHEMBL9430437 | 0.82 | — | — | |
| SCHEMBL15632495 | 0.82 | — | — | |
| SCHEMBL20617757 | 0.82 | FUCA1 (0.31) | — | |
| SCHEMBL13581398 | 0.80 | FUCA1 (0.54) | — |
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-9040738-B2 | Intermediate compounds of tamiflu, methods of preparation and uses thereof | SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) | 2015-05-26 | — | — | US | disclosed |
| US-20140221662-A1 | INTERMEDIATE COMPOUNDS OF TAMIFLU, METHODS OF PREPARATION AND USES THEREOF | SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) | 2014-08-07 | — | — | US | disclosed |
| US-8455482-B2 | Substituted pyrrolidine derivative | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2013-06-04 | — | — | US | disclosed |
| US-20110166131-A1 | SUBSTITUTED PYRROLIDINE DERIVATIVE | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2011-07-07 | — | — | US | disclosed |