⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12446663 | 0.74 | — | — | |
| SCHEMBL10797343 | 0.69 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL4701394 | 0.67 | — | — | |
| SCHEMBL17023664 | 0.65 | — | — | |
| SCHEMBL6215939 | 0.64 | — | — | |
| SCHEMBL11472386 | 0.59 | ALDH1A1 (0.31) | — | |
| SCHEMBL27692713 | 0.59 | — | — | |
| SCHEMBL10274919 | 0.59 | — | — | |
| SCHEMBL5943576 | 0.59 | — | — | |
| SCHEMBL369996 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3315531-A1 | 8-ARM POLYETHYLENE GLYCOL DERIVATIVE, MANUFACTURING METHOD AND MODIFIED BIO-RELATED SUBSTANCE THEREBY | Xiamen Sinopeg Biotech Co., Ltd. (CN) | 2018-05-02 | — | — | EP | disclosed |