⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6990593 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL15695745 | 0.79 | — | — | |
| SCHEMBL8228599 | 0.79 | — | — | |
| SCHEMBL2176867 | 0.76 | — | — | |
| SCHEMBL7194849 | 0.73 | — | — | |
| SCHEMBL22081828 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL19688869 | 0.71 | — | — | |
| SCHEMBL18792697 | 0.71 | — | — | |
| SCHEMBL8714739 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL28836931 | 0.71 | CYP2D6 (0.50) | — |
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-20210079146-A1 | POLYOLEFIN DERIVATIVE AND COMPOSITE MATERIAL | DAXIN MATERIALS CORPORATION (TW) | 2021-03-18 | — | — | US | disclosed |