⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27760686 | 0.77 | ENPP2 (0.36) | — | |
| SCHEMBL17372754 | 0.76 | — | — | |
| SCHEMBL28145310 | 0.76 | CA3 (0.40) | — | |
| SCHEMBL27457816 | 0.75 | MEN1 (0.41) | — | |
| SCHEMBL27485237 | 0.74 | — | — | |
| SCHEMBL27568155 | 0.74 | GAA (0.38) | — | |
| SCHEMBL27932489 | 0.69 | TRPA1 (0.36) | — | |
| SCHEMBL28165012 | 0.67 | MGLL (0.35) | — | |
| SCHEMBL2362320 | 0.64 | MAPT (0.35) | — | |
| SCHEMBL28165369 | 0.64 | CHKA (0.39) | — |
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-104066734-A | Triazolo[4,5-d]pyrimidine derivatives | MERCK PATENT GMBH | 2014-09-24 | — | — | CN | claimed |
| CN-107849050-B | Compound (I) | 爱丁堡大学董事会 | 2020-10-13 | — | — | CN | disclosed |