⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL290398 | 0.80 | — | — | |
| SCHEMBL27802762 | 0.77 | — | — | |
| SCHEMBL21553585 | 0.75 | MCL1 (0.34) | — | |
| SCHEMBL2106440 | 0.73 | — | — | |
| SCHEMBL3762564 | 0.72 | TSHR (0.52) | — | |
| SCHEMBL221762 | 0.72 | — | — | |
| SCHEMBL11233471 | 0.72 | TSHR (0.40) | — | |
| SCHEMBL18811578 | 0.72 | MCL1 (0.32) | — | |
| SCHEMBL18016418 | 0.70 | — | — | |
| SCHEMBL103350 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1404496-B | Organic polymer and novel polymerizable compound | MITSUI CHEMICALS INC | 2013-07-17 | — | — | CN | disclosed |
| CN-1781914-B | Organic polymer and novel polymerizable compound | MITSU CHEMICALS INC | 2012-08-15 | — | — | CN | disclosed |
| CN-1781914-A | Organic polymer and novel polymerizable compound | MITSUI CHEMICALS INC (JP) | 2006-06-07 | — | — | CN | disclosed |
| CN-1404496-A | Organic polymer and novel polymerizable compound | MITSUI CHEMICALS INC (JP) | 2003-03-19 | — | — | CN | disclosed |