⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15659655 | 0.84 | — | — | |
| SCHEMBL4645642 | 0.81 | — | — | |
| SCHEMBL4741396 | 0.75 | — | — | |
| SCHEMBL4646034 | 0.73 | — | — | |
| SCHEMBL4646726 | 0.72 | — | — | |
| SCHEMBL4647701 | 0.70 | — | — | |
| SCHEMBL4648348 | 0.70 | — | — | |
| SCHEMBL4644223 | 0.68 | — | — | |
| SCHEMBL13896933 | 0.67 | — | — | |
| SCHEMBL4647291 | 0.65 | — | — |
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-20010047043-A1 | Method of preparing a polymerizate | PPG INDUSTRIES OHIO, INC. | 2001-11-29 | — | — | US | claimed |
| US-6631021-B2 | Photochromic article | PPG INDUSTRIES OHIO, INC. | 2003-10-07 | — | — | US | disclosed |
| US-20020010313-A1 | Polyfunctional thiirane compounds | PPG INDUSTRIES OHIO, INC. | 2002-01-24 | — | — | US | disclosed |
| US-20010047043-A1 | Method of preparing a polymerizate | PPG INDUSTRIES OHIO, INC. | 2001-11-29 | — | — | US | disclosed |