⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4895394 | 0.83 | — | — | |
| SCHEMBL27842208 | 0.79 | — | — | |
| SCHEMBL888651 | 0.74 | — | — | |
| SCHEMBL4023582 | 0.74 | — | — | |
| SCHEMBL28800498 | 0.74 | — | — | |
| SCHEMBL6124693 | 0.74 | — | — | |
| SCHEMBL2844256 | 0.74 | — | — | |
| SCHEMBL2785699 | 0.74 | — | — | |
| SCHEMBL28181549 | 0.72 | — | — | |
| SCHEMBL1587937 | 0.72 | SIRT2 (0.33) | — |
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-103154150-B | For the resin blend of smelting process | LG CHEM, LTD. (KR) | 2015-11-25 | — | — | CN | disclosed |