⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10535962 | 0.94 | — | — | |
| Charcoal, Activated SCHEMBL30631588 | 0.76 | ALDH1A1 (0.42) | — | |
| Charcoal, Activated SCHEMBL4873756 | 0.76 | — | — | |
| Charcoal, Activated SCHEMBL9580850 | 0.76 | — | — | |
| Charcoal, Activated SCHEMBL997342 | 0.74 | — | — | |
| SCHEMBL434958 | 0.68 | — | — | |
| SCHEMBL10871026 | 0.68 | ALDH1A1 (0.46) | — | |
| SCHEMBL6799285 | 0.68 | ALDH1A1 (0.46) | — | |
| SCHEMBL2232051 | 0.68 | — | — | |
| SCHEMBL437564 | 0.68 | — | — |
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-10040947-B2 | Primer composition | MITSUI CHEMICALS, INC. (JP) | 2018-08-07 | — | — | US | disclosed |
| EP-2258780-B1 | PRIMER COMPOSITION | MITSUI CHEMICALS INC (JP) | 2012-09-26 | — | — | EP | disclosed |
| US-20110014483-A1 | PRIMER COMPOSITION | MITSUI CHEMICALS, INC. | 2011-01-20 | — | — | US | disclosed |
| EP-2258780-A1 | PRIMER COMPOSITION | Mitsui Chemicals, Inc. (JP) | 2010-12-08 | — | — | EP | disclosed |