⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28102268 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL10425342 | 0.83 | — | — | |
| SCHEMBL9718032 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL339481 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL690444 | 0.73 | — | — | |
| SCHEMBL3644029 | 0.73 | — | — | |
| SCHEMBL1206974 | 0.72 | TSHR (0.46) | — | |
| SCHEMBL1206975 | 0.72 | TSHR (0.46) | — | |
| SCHEMBL20819830 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL29284363 | 0.71 | TSHR (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 |
|---|---|---|---|---|---|---|---|
| CN-111040749-A | Acidizing temporary plugging diverting agent and preparation method thereof | 成都华阳兴华化工有限公司 | 2020-04-21 | — | — | CN | disclosed |