⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8101253 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL10621382 | 0.72 | — | — | |
| SCHEMBL24170710 | 0.71 | — | — | |
| SCHEMBL862199 | 0.69 | — | — | |
| SCHEMBL3933428 | 0.69 | — | — | |
| SCHEMBL3787141 | 0.69 | CYP2D6 (0.50) | — | |
| Hydrochloric Acid SCHEMBL34473174 | 0.67 | CYP3A4 (0.31) | — | |
| SCHEMBL18735485 | 0.65 | — | — | |
| SCHEMBL22623134 | 0.65 | — | — | |
| SCHEMBL367364 | 0.65 | PAX8 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2157215-B1 | POLYURETHANE ELASTIC FIBER | ASAHI KASEI FIBERS CORP (JP) | 2011-12-28 | — | — | EP | disclosed |
| US-20100184347-A1 | POLYURETHANE ELASTIC FIBERS | ASAHI KASEI FIBERS CORPORATION (JP) | 2010-07-22 | — | — | US | disclosed |
| EP-2157215-A1 | POLYURETHANE ELASTIC FIBER | Asahi Kasei Fibers Corporation (JP) | 2010-02-24 | — | — | EP | disclosed |