⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14345886 | 1.00 | — | — | |
| SCHEMBL10783575 | 1.00 | — | — | |
| SCHEMBL7009020 | 0.98 | ADORA2A (0.45) | — | |
| SCHEMBL7618854 | 0.85 | — | — | |
| SCHEMBL7474650 | 0.85 | — | — | |
| SCHEMBL18655709 | 0.85 | — | — | |
| SCHEMBL11653074 | 0.79 | ADORA2A (0.41) | — | |
| SCHEMBL2132134 | 0.79 | — | — | |
| SCHEMBL2132138 | 0.79 | — | — | |
| SCHEMBL5555667 | 0.79 | ADORA2A (0.41) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1054859-A4 | PROCESSES AND INTERMEDIATES USEFUL TO MAKE ANTIFOLATES | LILLY CO ELI (US) | 2003-03-05 | — | — | EP | disclosed |
| US-6426417-B1 | CYCLIZATION OF A CYANO-ESTER DERIVATIVE WITH 2,6-DIAMINO-6-HYDROXYPYRIMIDINE IN THE PRESENCE OF ACETIC ACID AND ACETONITRILE | ELI LILLY AND COMPANY | 2002-07-30 | — | — | US | disclosed |
| EP-1213609-A2 | High contrast thermally-developable imaging materials containing barrier layer | EASTMAN KODAK COMPANY (US) | 2002-06-12 | — | — | EP | disclosed |
| US-6352819-B1 | MATERIAL COMPRISING SUPPORT, THERMALLY-DEVELOPABLE IMAGING LAYER COMPRISING BINDER, PHOTOSENSITIVE SILVER HALIDE, SOURCE OF REDUCIBLE SILVER IONS, REDUCING AGENT AND HIGH CONTRAST AGENT, AND BARRIER LAYER COMPRISING FILM FORMING POLYMER | EASTMAN KODAK COMPANY | 2002-03-05 | — | — | US | disclosed |
| EP-1054859-A1 | PROCESSES AND INTERMEDIATES USEFUL TO MAKE ANTIFOLATES | ELI LILLY AND COMPANY (US) | 2000-11-29 | — | — | EP | disclosed |
| WO-1999041230-A1 | PROCESSES AND INTERMEDIATES USEFUL TO MAKE ANTIFOLATES | ELI LILLY AND COMPANY (US) | 1999-08-19 | — | — | WO | disclosed |
| US-4665218-A | Method for the preparation of alkoxymethylene compounds of acetic esters and substituted acetic esters | DYNAMIT NOBEL AG (DE) | 1987-05-12 | — | — | US | disclosed |