⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15866470 | 0.63 | — | — | |
| SCHEMBL1738863 | 0.54 | — | — | |
| SCHEMBL29047449 | 0.54 | — | — | |
| SCHEMBL28138175 | 0.44 | — | — | |
| SCHEMBL556461 | 0.38 | — | — | |
| SCHEMBL11477537 | 0.38 | — | — | |
| SCHEMBL156040 | 0.38 | — | — | |
| SCHEMBL2092582 | 0.38 | — | — | |
| SCHEMBL19971 | 0.38 | — | — | |
| SCHEMBL9763355 | 0.38 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100528882-C | Spirotetrathiocarbamates and spirooxothiocarbamates | ESSILOR INT (FR) | 2009-08-19 | — | — | CN | claimed |
| US-20040137307-A1 | Seal construction for fuel cell | HONDA MOTOR CO., LTD. (JP) | 2004-07-15 | — | — | US | disclosed |