⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL27775282 | 1.00 | — | — | |
| SCHEMBL27468099 | 1.00 | — | — | |
| Methane SCHEMBL23088734 | 0.00 | — | — | |
| Methane SCHEMBL23795058 | 0.00 | — | — | |
| SCHEMBL23528133 | 0.00 | — | — | |
| SCHEMBL23461972 | 0.00 | — | — | |
| SCHEMBL25435013 | 0.00 | — | — | |
| Phosphine SCHEMBL25436453 | 0.00 | — | — | |
| Water SCHEMBL25437472 | 0.00 | — | — | |
| SCHEMBL23462191 | 0.00 | — | — |
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-108893632-A | A kind of tough corrosion resistant Ti alloy and preparation method thereof | 燕山大学 | 2018-11-27 | — | — | CN | disclosed |