⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL217782 | 0.90 | CA1 (0.33) | — | |
| Phosphine SCHEMBL28955379 | 0.87 | CA1 (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL21273398 | 0.87 | CA1 (0.32) | — | |
| SCHEMBL6469534 | 0.87 | — | — | |
| Trimethylammonium SCHEMBL367682 | 0.86 | — | — | |
| Trimethylammonium SCHEMBL29552092 | 0.86 | — | — | |
| SCHEMBL23848350 | 0.85 | CA1 (0.31) | — | |
| Benzene SCHEMBL28371694 | 0.85 | CA1 (0.31) | — | |
| Dimethylamine SCHEMBL14693737 | 0.85 | CA1 (0.31) | — | |
| SCHEMBL813411 | 0.83 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030207762-A9 | CATALYST PREPARATION METHOD | UNIVATION TECHNOLOGIES, LLC | 2003-11-06 | — | — | US | claimed |
| US-20020119890-A1 | Catalyst preparation method | WENZEL TIMOTHY T (US) | 2002-08-29 | — | — | US | claimed |
| EP-4103629-A1 | POLYETHYLENE COMPOSITIONS OBTAINED USING TRANSITION METAL BIS(PHENOLATE) CATALYST COMPLEXES AND HOMOGENEOUS PROCESS FOR PRODUCTION THEREOF | ExxonMobil Chemical Patents Inc. (US) | 2022-12-21 | — | — | EP | disclosed |
| WO-2021162748-A1 | POLYETHYLENE COMPOSITIONS OBTAINED USING TRANSITION METAL BIS(PHENOLATE) CATALYST COMPLEXES AND HOMOGENEOUS PROCESS FOR PRODUCTION THEREOF | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2021-08-19 | — | — | WO | disclosed |