⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20098033 | 0.79 | — | — | |
| SCHEMBL20118950 | 0.70 | — | — | |
| SCHEMBL9385428 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL19062173 | 0.67 | — | — | |
| SCHEMBL13532087 | 0.67 | TSHR (0.30) | — | |
| SCHEMBL16506583 | 0.66 | — | — | |
| SCHEMBL22047394 | 0.65 | NUDT1 (0.34) | — | |
| SCHEMBL13622558 | 0.65 | TSHR (0.34) | — | |
| SCHEMBL19009142 | 0.64 | — | — | |
| SCHEMBL24554741 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10660969-B2 | Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof | XIAMEN SINOPEG BIOTECH CO., LTD. (CN) | 2020-05-26 | — | — | US | disclosed |