⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25424089 | 0.60 | — | — | |
| SCHEMBL1499187 | 0.59 | — | — | |
| Ethyne SCHEMBL9160727 | 0.59 | — | — | |
| SCHEMBL1275747 | 0.59 | — | — | |
| Ethyne SCHEMBL28381862 | 0.59 | — | — | |
| SCHEMBL425680 | 0.56 | — | — | |
| SCHEMBL14543872 | 0.56 | — | — | |
| SCHEMBL7401792 | 0.56 | — | — | |
| SCHEMBL21927170 | 0.56 | — | — | |
| Cyanide SCHEMBL22445030 | 0.56 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050014292-A1 | Protein arrays for high-throughput screening | BILL & MELINDA GATES FOUNDATION | 2005-01-20 | — | — | US | disclosed |
| US-20050008674-A1 | Protein arrays for high-throughput screening | BILL & MELINDA GATES FOUNDATION | 2005-01-13 | — | — | US | disclosed |