⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8002633 | 0.73 | — | — | |
| SCHEMBL32690655 | 0.69 | TSHR (0.37) | — | |
| SCHEMBL4812696 | 0.69 | OPRM1 (0.33) | — | |
| SCHEMBL18221788 | 0.62 | — | — | |
| SCHEMBL4816400 | 0.61 | — | — | |
| SCHEMBL32690695 | 0.61 | TSHR (0.35) | — | |
| SCHEMBL11860637 | 0.60 | — | — | |
| SCHEMBL17735521 | 0.60 | — | — | |
| SCHEMBL12879482 | 0.58 | — | — | |
| SCHEMBL1817878 | 0.58 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109485672-B | Curing catalyst, moisture-curable room-temperature-curable organopolysiloxane composition, and molded body | 信越化学工业株式会社 | 2023-09-26 | — | — | CN | disclosed |
| US-6084081-A | Lewis X derivatives | DAIKIN INDUSTRIES, LTD. (JP) | 2000-07-04 | — | — | US | disclosed |
| EP-0930315-A1 | LEWIS X DERIVATIVES | DAIKIN INDUSTRIES, LTD. (JP) | 1999-07-21 | — | — | EP | disclosed |