⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5609628 | 0.92 | PDCD1 (0.30) | — | |
| SCHEMBL5721771 | 0.91 | — | — | |
| SCHEMBL5721888 | 0.89 | NPC1 (0.33) | — | |
| SCHEMBL5721264 | 0.87 | FABP4 (0.30) | — | |
| SCHEMBL5721323 | 0.86 | METAP2 (0.31) | — | |
| SCHEMBL5721093 | 0.86 | RXRA (0.33) | — | |
| SCHEMBL3163967 | 0.85 | BRD4 (0.33) | — | |
| SCHEMBL5721286 | 0.85 | CA12 (0.32) | — | |
| SCHEMBL5721307 | 0.85 | PDCD1 (0.35) | — | |
| SCHEMBL5721146 | 0.80 | — | — |
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-1456217-A1 | METALLOCENES AND CATALYST COMPOSITIONS DERIVED THEREFROM | Exxonmobil Chemical Patents Inc. (US) | 2004-09-15 | — | — | EP | disclosed |
| WO-2003050131-A1 | METALLOCENES AND CATALYST COMPOSITIONS DERIVED THEREFROM | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2003-06-19 | — | — | WO | disclosed |