⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL29844322 | 0.71 | — | — | |
| Potassium Ion SCHEMBL23462122 | 0.00 | CA4 (0.50) | — | |
| Phosphine SCHEMBL25436453 | 0.00 | — | — | |
| Potassium Ion SCHEMBL23462274 | 0.00 | CA4 (0.50) | — | |
| Ammonia Solution, Strong SCHEMBL25436107 | 0.00 | — | — | |
| SCHEMBL23462156 | 0.00 | — | — | |
| Hydrogen Sulfide SCHEMBL23805181 | 0.00 | — | — | |
| SCHEMBL23462142 | 0.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL25435623 | 0.00 | — | — | |
| Potassium Ion SCHEMBL23462037 | 0.00 | CA4 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2010236170-A | POLYTRIMETHYLENE TEREPHTHALATE BASED POLYESTER CONJUGATE FIBER | TORAY IND INC | 2010-10-21 | — | — | JP | disclosed |