⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13476921 | 0.84 | LMNA (0.55) | — | |
| SCHEMBL104878 | 0.84 | LMNA (0.55) | — | |
| SCHEMBL25325892 | 0.83 | SPHK1 (0.43) | — | |
| SCHEMBL28057688 | 0.83 | LMNA (0.41) | — | |
| SCHEMBL29008156 | 0.82 | LMNA (0.44) | — | |
| SCHEMBL25325049 | 0.81 | SPHK1 (0.52) | — | |
| SCHEMBL1057444 | 0.80 | — | — | |
| SCHEMBL3163452 | 0.80 | LMNA (0.42) | — | |
| SCHEMBL28068128 | 0.79 | SPHK1 (0.56) | — | |
| SCHEMBL107904 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230322805-A1 | NOVEL PYRIMIDODIAZEPINE DERIVATIVES OR USES THEREOF | SPARK BIOPHARMA, INC. (KR) | 2023-10-12 | — | — | US | disclosed |
| CN-116209420-A | Oral care antimicrobial compositions, methods of making and methods of using the same | ISP投资有限公司 | 2023-06-02 | — | — | CN | disclosed |
| CN-116096362-A | Antimicrobial compositions, methods of making and methods of using the same | ISP投资有限公司 | 2023-05-09 | — | — | CN | disclosed |