⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8435017 | 1.00 | — | — | |
| SCHEMBL8435329 | 0.95 | — | — | |
| SCHEMBL8439257 | 0.88 | — | — | |
| SCHEMBL8438244 | 0.83 | — | — | |
| SCHEMBL8438241 | 0.83 | — | — | |
| SCHEMBL8440742 | 0.82 | — | — | |
| SCHEMBL8440148 | 0.78 | — | — | |
| SCHEMBL8440979 | 0.76 | — | — | |
| SCHEMBL8435025 | 0.75 | — | — | |
| SCHEMBL8435028 | 0.75 | — | — |
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-6001994-A | Process for making gemcitabine hydrochloride | ELI LILLY AND COMPANY (US) | 1999-12-14 | — | — | US | disclosed |
| US-5912366-A | CHEMICAL INTERMEDIATES FOR GEMCITABINE AN ANTITUMOR AGENT | ELI LILLY AND COMPANY (US) | 1999-06-15 | — | — | US | disclosed |
| WO-1997021719-A1 | α, α-DIFLUORO-β-HYDROXY THIOL ESTERS AND THEIR SYNTHESIS | ELI LILLY AND COMPANY (US) | 1997-06-19 | — | — | WO | disclosed |
| EP-0779275-A2 | Alpha, Alpha - Difluoro-beta -hydroxy thiol esters and their synthesis | ELI LILLY AND COMPANY (US) | 1997-06-18 | — | — | EP | disclosed |