⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19638398 | 0.88 | — | — | |
| SCHEMBL92182 | 0.86 | LMNA (0.39) | — | |
| SCHEMBL10127315 | 0.84 | PIK3CA (0.31) | — | |
| SCHEMBL499569 | 0.82 | — | — | |
| SCHEMBL220922 | 0.82 | TSHR (0.37) | — | |
| Hydroxyl Radical SCHEMBL28330571 | 0.79 | — | — | |
| SCHEMBL16683329 | 0.73 | NPC1 (0.31) | — | |
| SCHEMBL330971 | 0.72 | — | — | |
| SCHEMBL321202 | 0.72 | — | — | |
| SCHEMBL25150041 | 0.71 | PIK3CA (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10550241-B2 | Polytrimethylene terephthalate composition, polyester fiber, and methods for producing the same | TEIJIN FRONTIER CO., LTD. (JP) | 2020-02-04 | — | — | US | disclosed |
| EP-3249012-B1 | POLYTRIMETHYLENE TEREPHTHALATE COMPOSITION, POLYESTER FIBERS, AND METHOD FOR PRODUCING SAME | TEIJIN FRONTIER CO LTD (JP) | 2019-08-21 | — | — | EP | disclosed |
| US-20180265667-A1 | POLYTRIMETHYLENE TEREPHTHALATE COMPOSITION, POLYESTER FIBER, AND METHODS FOR PRODUCING THE SAME | TEIJIN LIMITED (JP) | 2018-09-20 | — | — | US | disclosed |
| EP-3249012-A1 | POLYTRIMETHYLENE TEREPHTHALATE COMPOSITION, POLYESTER FIBERS, AND METHOD FOR PRODUCING SAME | Teijin Limited (JP) | 2017-11-29 | — | — | EP | disclosed |