⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10046626 | 0.91 | — | — | |
| SCHEMBL8773013 | 0.88 | — | — | |
| SCHEMBL8896798 | 0.88 | TRPV1 (0.40) | — | |
| SCHEMBL8896720 | 0.88 | TRPV1 (0.40) | — | |
| SCHEMBL28044629 | 0.88 | TRPV1 (0.40) | — | |
| SCHEMBL9052590 | 0.88 | TRPV1 (0.40) | — | |
| SCHEMBL2114208 | 0.80 | — | — | |
| SCHEMBL3914418 | 0.79 | — | — | |
| SCHEMBL2155981 | 0.79 | TSHR (0.47) | — | |
| SCHEMBL19293365 | 0.79 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104876896-A | Intermediates for the preparation of analogs of halichondrin B | EISAI R&D MAN CO LTD | 2015-09-02 | — | — | CN | disclosed |
| CN-101172957-B | Novel compound, synthetic method thereof and therapeutic usage | GILEAD SCIENCES INC (US) | 2012-11-14 | — | — | CN | disclosed |
| CN-100409844-C | neuraminidase inhibitors | GILEAD SCIENCES INC (US) | 2008-08-13 | — | — | CN | disclosed |
| CN-101172957-A | Selective inhibitors of viral or bacterial neuraminidase | GILEAD SCIENCES INC (US) | 2008-05-07 | — | — | CN | disclosed |
| CN-101143859-A | Novel compound, its synthesis method and therapeutical uses | GILEAD SCIENCES INC (US) | 2008-03-19 | — | — | CN | disclosed |
| CN-100338031-C | Compounds and methods for synthesis and therapy | GILEAD SCIENCES INC (US) | 2007-09-19 | — | — | CN | disclosed |
| CN-1733707-A | Compounds and methods for synthesis and therapy | GILEAD SCIENCES INC (US) | 2006-02-15 | — | — | CN | disclosed |
| CN-1185223-C | Novel compounds, their synthesis and therapeutic use | GILEAD SCIENCES INC (US) | 2005-01-19 | — | — | CN | disclosed |
| CN-1147813-A | Novel compounds, their synthesis and therapeutic use | GILEAD SCIENCES INC (US) | 1997-04-16 | — | — | CN | disclosed |
| EP-0759917-A1 | NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES | GILEAD SCIENCES, INC. (US) | 1997-03-05 | — | — | EP | disclosed |