⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14910333 | 1.00 | — | — | |
| SCHEMBL11337218 | 1.00 | — | — | |
| SCHEMBL10799533 | 1.00 | — | — | |
| SCHEMBL4251926 | 1.00 | — | — | |
| SCHEMBL11058166 | 1.00 | — | — | |
| SCHEMBL24477 | 1.00 | — | — | |
| SCHEMBL10833746 | 1.00 | — | — | |
| SCHEMBL11582534 | 0.82 | — | — | |
| SCHEMBL18575151 | 0.82 | — | — | |
| SCHEMBL18224220 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4558102-A | CALCINED HYDROTALCITE PRODUCT AS ACID ACCEPTOR | KYOWA CHEMICAL INDUSTRY CO., LTD. (JP) | 1985-12-10 | — | — | US | disclosed |