⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29285333 | 1.00 | — | — | |
| Boric Acid SCHEMBL27881075 | 0.91 | — | — | |
| SCHEMBL4304356 | 0.91 | — | — | |
| SCHEMBL2513 | 0.85 | — | — | |
| Ethane SCHEMBL15300165 | 0.83 | — | — | |
| SCHEMBL16694372 | 0.83 | — | — | |
| Iodide SCHEMBL13274496 | 0.83 | — | — | |
| Piperazine SCHEMBL3259121 | 0.74 | — | — | |
| SCHEMBL8563693 | 0.67 | NPC1 (0.30) | — | |
| 1-Methylimidazole SCHEMBL11120817 | 0.66 | QPCT (0.56) | — |
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-115475484-A | Method and device for recovering VOCs (volatile organic compounds) in two-phase cycle | 中石化南京化工研究院有限公司 | 2022-12-16 | — | — | CN | disclosed |