⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5890122 | 0.93 | — | — | |
| SCHEMBL5890591 | 0.92 | — | — | |
| SCHEMBL5891219 | 0.90 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL5891029 | 0.90 | S1PR4 (0.31) | — | |
| SCHEMBL5890348 | 0.90 | — | — | |
| SCHEMBL5890437 | 0.88 | TSHR (0.31) | — | |
| SCHEMBL5890022 | 0.88 | — | — | |
| SCHEMBL5890517 | 0.88 | MEN1 (0.31) | — | |
| SCHEMBL5889769 | 0.88 | — | — | |
| SCHEMBL5890608 | 0.88 | — | — |
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-7122498-B2 | Metallocenes and catalyst compositions derived therefrom | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2006-10-17 | — | — | US | disclosed |