⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27601296 | 0.77 | IDO1 (0.33) | — | |
| SCHEMBL27752602 | 0.76 | SELL (0.35) | — | |
| SCHEMBL27570525 | 0.72 | — | — | |
| SCHEMBL27481199 | 0.72 | SIRT1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL27531055 | 0.71 | PRKCI (0.35) | — | |
| SCHEMBL2371099 | 0.70 | — | — | |
| SCHEMBL27728787 | 0.69 | SHBG (0.37) | — | |
| SCHEMBL27467288 | 0.68 | ERN1 (0.41) | — | |
| SCHEMBL27708418 | 0.67 | HCAR3 (0.46) | — | |
| SCHEMBL27855609 | 0.66 | IDO1 (0.41) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105683285-A | Phenolic resin composition, epoxy resin composition, and cured epoxy resin | 杰富意化学株式会社 | 2016-06-15 | — | — | CN | disclosed |