⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11762813 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL11767313 | 0.84 | — | — | |
| SCHEMBL11767558 | 0.83 | — | — | |
| SCHEMBL11766991 | 0.78 | — | — | |
| SCHEMBL5874443 | 0.70 | — | — | |
| SCHEMBL1845257 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL5874405 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL5874277 | 0.69 | KMT2A (0.30) | — | |
| SCHEMBL6734711 | 0.69 | CA4 (0.46) | — | |
| Silver SCHEMBL6734699 | 0.69 | CA4 (0.46) | — |
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-4035457-A | Nonbiodegradable polymers | CHEMICAL SYSTEMS INCORPORATED (US) | 1977-07-12 | — | — | US | disclosed |