⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9055593 | 0.97 | — | — | |
| Carbon Monoxide SCHEMBL5518214 | 0.67 | — | — | |
| SCHEMBL27543165 | 0.67 | — | — | |
| SCHEMBL10611251 | 0.65 | — | — | |
| SCHEMBL4653755 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL9079162 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL28557769 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL5349916 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL20723564 | 0.65 | — | — | |
| SCHEMBL3993707 | 0.65 | — | — |
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-6506867-B1 | Ethylene polymer with low aluminum; stress resistance, nonfracturing, melt processability | THE DOW CHEMICAL COMPANY | 2003-01-14 | — | — | US | disclosed |