⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17581125 | 0.69 | — | — | |
| SCHEMBL11218164 | 0.60 | ACHE (0.30) | — | |
| SCHEMBL18205013 | 0.60 | — | — | |
| SCHEMBL9487271 | 0.59 | HMGCR (0.42) | — | |
| SCHEMBL21551708 | 0.59 | — | — | |
| SCHEMBL2309435 | 0.59 | KDM4E (0.38) | — | |
| SCHEMBL31052394 | 0.55 | — | — | |
| SCHEMBL31208455 | 0.50 | KDM4E (0.37) | — | |
| Butane SCHEMBL9292387 | 0.48 | TSHR (0.50) | — | |
| Butane SCHEMBL3593 | 0.48 | — | — |
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-6911508-B2 | Class of metallocenes and method of producing polyethylene | UNIVATION TECHNOLOGIES, LLC (US) | 2005-06-28 | — | — | US | disclosed |
| US-20040249096-A1 | Class of metallocenes and method of producing polyethylene | EXXONMOBIL CHEMICAL PATENTS INC. | 2004-12-09 | — | — | US | disclosed |