⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7862486 | 0.84 | — | — | |
| SCHEMBL7861220 | 0.84 | PDCD1 (0.31) | — | |
| SCHEMBL7863265 | 0.81 | — | — | |
| SCHEMBL7863520 | 0.77 | — | — | |
| SCHEMBL7862483 | 0.75 | — | — | |
| SCHEMBL7034781 | 0.72 | PDCD1 (0.33) | — | |
| SCHEMBL28024299 | 0.72 | CHRNB2 (0.31) | — | |
| SCHEMBL5859348 | 0.72 | CHRNB2 (0.33) | — | |
| SCHEMBL7853080 | 0.71 | CHRNB2 (0.32) | — | |
| SCHEMBL27642869 | 0.71 | CHRNB2 (0.32) | — |
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-1119575-A1 | BRIDGED METAL COMPLEXES | THE DOW CHEMICAL COMPANY (US) | 2001-08-01 | — | — | EP | disclosed |
| WO-2000020426-A1 | BRIDGED METAL COMPLEXES | THE DOW CHEMICAL COMPANY (US) | 2000-04-13 | — | — | WO | disclosed |