⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8469760 | 1.00 | — | — | |
| SCHEMBL27508213 | 0.93 | — | — | |
| SCHEMBL27496393 | 0.93 | — | — | |
| SCHEMBL8468224 | 0.92 | PDCD1 (0.33) | — | |
| SCHEMBL27494089 | 0.90 | PDCD1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL5169310 | 0.88 | PDCD1 (0.33) | — | |
| SCHEMBL27498413 | 0.87 | MAOB (0.35) | — | |
| SCHEMBL27459241 | 0.85 | PDCD1 (0.31) | — | |
| SCHEMBL7009427 | 0.82 | PDCD1 (0.34) | — | |
| SCHEMBL7053629 | 0.80 | PDCD1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0891381-A1 | OLEFIN SOLUTION POLYMERIZATION | THE DOW CHEMICAL COMPANY (US) | 1999-01-20 | — | — | EP | disclosed |
| WO-1997036942-A1 | OLEFIN SOLUTION POLYMERIZATION | THE DOW CHEMICAL COMPANY (US) | 1997-10-09 | — | — | WO | disclosed |