⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL939494 | 0.90 | — | — | |
| SCHEMBL11900957 | 0.90 | — | — | |
| SCHEMBL15774 | 0.86 | — | — | |
| SCHEMBL5563567 | 0.82 | — | — | |
| Potassium Ion SCHEMBL9776622 | 0.79 | — | — | |
| Isopropyl Alcohol SCHEMBL28339044 | 0.76 | ALDH1A1 (0.43) | — | |
| SCHEMBL10903304 | 0.75 | — | — | |
| SCHEMBL15440437 | 0.73 | — | — | |
| SCHEMBL101588 | 0.73 | — | — | |
| SCHEMBL1296484 | 0.71 | — | — |
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-102164985-B | Polyester polymerization catalyst and method for producing polyester using same | TORAY INDUSTRIES | 2012-11-28 | — | — | CN | disclosed |
| CN-102164985-A | Polyester polymerization catalyst and method for producing polyester using same | TORAY INDUSTRIES | 2011-08-24 | — | — | CN | disclosed |