⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL658091 | 0.87 | HDAC1 (0.55) | — | |
| SCHEMBL656671 | 0.86 | MAP4K1 (0.39) | — | |
| SCHEMBL658588 | 0.86 | HDAC1 (0.36) | — | |
| SCHEMBL655254 | 0.86 | IGF1R (0.42) | — | |
| SCHEMBL657967 | 0.86 | AKT1 (0.42) | — | |
| SCHEMBL3352631 | 0.85 | HDAC1 (0.37) | — | |
| SCHEMBL3356590 | 0.84 | AKT1 (0.42) | — | |
| SCHEMBL3352703 | 0.84 | CCNE1 (0.36) | — | |
| SCHEMBL658869 | 0.84 | HDAC1 (0.36) | — | |
| SCHEMBL3357617 | 0.84 | CCNE1 (0.40) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8198299-B2 | Cycloalkylidene and heterocycloalkylidene inhibitor compounds | GILEAD SCIENCES, INC. (US) | 2012-06-12 | — | — | US | claimed |
| US-20120045412-A1 | CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2012-02-23 | — | — | US | claimed |
| US-20100022543-A1 | CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. | 2010-01-28 | — | — | US | claimed |