⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5435700 | 0.88 | — | — | |
| SCHEMBL7083473 | 0.76 | EPHX1 (0.32) | — | |
| SCHEMBL3182655 | 0.71 | — | — | |
| SCHEMBL8910860 | 0.71 | TP53 (0.30) | — | |
| Formaldehyde SCHEMBL22134458 | 0.68 | — | — | |
| SCHEMBL15227099 | 0.65 | — | — | |
| SCHEMBL3155408 | 0.62 | SHBG (0.40) | — | |
| SCHEMBL2121060 | 0.62 | — | — | |
| SCHEMBL3112779 | 0.61 | SHBG (0.48) | — | |
| SCHEMBL28634026 | 0.61 | TP53 (0.42) | — |
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-8436067-B2 | Initiator system with biphenylene derivates, method of production and use thereof | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2013-05-07 | — | — | US | disclosed |
| US-20110124764-A1 | INITIATOR SYSTEM WITH BIPHENYLENE DERIVATES, METHOD OF PRODUCTION AND USE THEREOF | 3M INNOVATIVE PROPERTIES COMPANY | 2011-05-26 | — | — | US | disclosed |
| CN-1882304-A | Photoinitiator systems with anthracene-based electron donors for curing cationically polymerizable resins | CURATORS OF UNIVERSITY OF MISS (US) | 2006-12-20 | — | — | CN | disclosed |