⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10380831 | 0.97 | TSHR (0.32) | — | |
| Bromide SCHEMBL28501494 | 0.97 | TSHR (0.32) | — | |
| SCHEMBL4787287 | 0.79 | — | — | |
| SCHEMBL275328 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL4959977 | 0.72 | — | — | |
| SCHEMBL22105 | 0.71 | — | — | |
| SCHEMBL29000883 | 0.71 | — | — | |
| SCHEMBL13577776 | 0.70 | — | — | |
| Hypochlorous Acid SCHEMBL11208004 | 0.69 | — | — | |
| SCHEMBL15114136 | 0.69 | — | — |
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-109777379-B | Low-molecular-weight polymer shale inhibitor and preparation method thereof | 西安石油大学 | 2021-02-09 | — | — | CN | claimed |