⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17158347 | 0.95 | ALDH1A1 (0.33) | — | |
| SCHEMBL15314 | 0.95 | — | — | |
| SCHEMBL821088 | 0.95 | ALDH1A1 (0.33) | — | |
| SCHEMBL9290864 | 0.95 | — | — | |
| SCHEMBL25271366 | 0.91 | — | — | |
| Water SCHEMBL7755978 | 0.91 | TSHR (0.32) | — | |
| Water SCHEMBL1781386 | 0.91 | — | — | |
| SCHEMBL28545563 | 0.91 | — | — | |
| SCHEMBL28545560 | 0.91 | — | — | |
| SCHEMBL28548663 | 0.91 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112467110-A | Organic battery electrode and preparation method thereof | 黄涛 | 2021-03-09 | — | — | CN | claimed |
| CN-112467110-A | Organic battery electrode and preparation method thereof | 黄涛 | 2021-03-09 | — | — | CN | disclosed |