⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6820 | 0.93 | — | — | |
| Water SCHEMBL9175584 | 0.86 | — | — | |
| SCHEMBL28778235 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL29541572 | 0.86 | — | — | |
| Ethane SCHEMBL11061208 | 0.86 | — | — | |
| SCHEMBL23300848 | 0.86 | — | — | |
| SCHEMBL10400340 | 0.86 | — | — | |
| Chloromethane SCHEMBL9644256 | 0.86 | — | — | |
| SCHEMBL9796177 | 0.86 | — | — | |
| SCHEMBL48919 | 0.77 | — | — |
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-6316057-B1 | Method for coating a surface | GLOBAL SURFACE AKTIENGESELLSCHAFT (CH) | 2001-11-13 | — | — | US | disclosed |