⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7629353 | 0.92 | — | — | |
| SCHEMBL7626672 | 0.90 | — | — | |
| SCHEMBL5678404 | 0.87 | PDCD1 (0.33) | — | |
| SCHEMBL31253552 | 0.85 | PDCD1 (0.35) | — | |
| SCHEMBL3404398 | 0.85 | PDCD1 (0.35) | — | |
| SCHEMBL8732742 | 0.83 | PDCD1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL7943365 | 0.83 | PDCD1 (0.33) | — | |
| SCHEMBL6531333 | 0.80 | PDCD1 (0.33) | — | |
| SCHEMBL7983533 | 0.79 | PDCD1 (0.34) | — | |
| SCHEMBL14905713 | 0.79 | NPC1 (0.33) | — |
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-0858462-A1 | SUPPORTABLE BISCYCLOPENTADIENYL METAL COMPLEXES | THE DOW CHEMICAL COMPANY (US) | 1998-08-19 | — | — | EP | disclosed |
| WO-1997015582-A1 | SUPPORTABLE BISCYCLOPENTADIENYL METAL COMPLEXES | THE DOW CHEMICAL COMPANY (US) | 1997-05-01 | — | — | WO | disclosed |