⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4445015 | 0.71 | — | — | |
| SCHEMBL10748647 | 0.70 | CA1 (0.31) | — | |
| SCHEMBL11719010 | 0.70 | POLB (0.33) | — | |
| SCHEMBL8070606 | 0.69 | IMPDH2 (0.36) | — | |
| SCHEMBL11717480 | 0.68 | TSHR (0.36) | — | |
| SCHEMBL2917186 | 0.68 | — | — | |
| SCHEMBL11717200 | 0.66 | HIF1A (0.37) | — | |
| SCHEMBL2813869 | 0.66 | — | — | |
| SCHEMBL258408 | 0.65 | — | — | |
| SCHEMBL11611613 | 0.64 | TSHR (0.48) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4059615-A | INSECTICIDE, POLYMER INTERMEDIATE | HOOKER CHEMICALS & PLASTICS CORPORATION (US) | 1977-11-22 | — | — | US | disclosed |