⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL55254 | 0.97 | — | — | |
| SCHEMBL27627928 | 0.93 | LPAR3 (0.57) | — | |
| SCHEMBL6361208 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL2150592 | 0.93 | — | — | |
| SCHEMBL6364192 | 0.93 | — | — | |
| SCHEMBL21384981 | 0.93 | — | — | |
| SCHEMBL28679157 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL9814422 | 0.93 | — | — | |
| Phosphoric Acid SCHEMBL4355509 | 0.93 | LPAR3 (0.57) | — | |
| SCHEMBL11402379 | 0.90 | LPAR3 (0.55) | — |
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-112778511-A | Catalyst composition for polyester production process | 科莱恩塑料和涂料有限公司 | 2021-05-11 | — | — | CN | disclosed |
| CN-107075097-B | Catalyst composition for polyester production process | 科莱恩塑料和涂料有限公司 | 2021-02-05 | — | — | CN | disclosed |