⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5889649 | 0.93 | GABRA1 (0.32) | — | |
| SCHEMBL5890621 | 0.91 | — | — | |
| SCHEMBL5951141 | 0.89 | CSNK2A2 (0.32) | — | |
| SCHEMBL5891205 | 0.89 | — | — | |
| SCHEMBL5609105 | 0.89 | ELANE (0.31) | — | |
| SCHEMBL5609047 | 0.87 | MDM2 (0.31) | — | |
| SCHEMBL5889695 | 0.87 | — | — | |
| SCHEMBL5610497 | 0.86 | — | — | |
| SCHEMBL5890436 | 0.86 | — | — | |
| SCHEMBL5890361 | 0.86 | CSNK2A2 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20140121341-A1 | Supported Metallocene Catalyst Systems and Methods of Preparation Thereof | EXXONMOBIL CHEMICAL PATENTS INC. | 2014-05-01 | — | — | US | disclosed |
| US-7122498-B2 | Metallocenes and catalyst compositions derived therefrom | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2006-10-17 | — | — | US | disclosed |