⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21532 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL1320378 | 0.94 | — | — | |
| Acetic Acid SCHEMBL4877406 | 0.83 | PIK3CD (0.35) | — | |
| SCHEMBL8312839 | 0.80 | — | — | |
| SCHEMBL1191441 | 0.80 | — | — | |
| SCHEMBL7927965 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL2328003 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL17796363 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL17796554 | 0.78 | — | — | |
| Methane SCHEMBL27788609 | 0.77 | — | — |
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-113121573-A | Purine derivatives and their use in medicine | 成都百裕制药股份有限公司 | 2021-07-16 | — | — | CN | disclosed |