⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL982533 | 0.72 | — | — | |
| SCHEMBL27799340 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL3829242 | 0.69 | — | — | |
| SCHEMBL27940367 | 0.69 | — | — | |
| SCHEMBL10961685 | 0.69 | — | — | |
| Water SCHEMBL29050203 | 0.69 | — | — | |
| SCHEMBL27579230 | 0.67 | — | — | |
| SCHEMBL271804 | 0.67 | — | — | |
| SCHEMBL28087602 | 0.67 | — | — | |
| SCHEMBL28092783 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6780807-B2 | ALPHA-OLEFIN POLYMERIZATION | EQUISTAR CHEMICALS L.P. | 2004-08-24 | — | — | US | disclosed |
| US-20030187160-A1 | Acyclic anionic six-electron-donor ancillary ligands | EQUISTAR CHEMICALS, LP | 2003-10-02 | — | — | US | disclosed |
| WO-2003072583-A1 | ACYCLIC ANIONIC SIX-ELECTRON-DONOR ANCILLARY LIGANDS | EQUISTAR CHEMICALS, LP (US) | 2003-09-04 | — | — | WO | disclosed |