⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27902029 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL28021204 | 0.74 | — | — | |
| SCHEMBL16396763 | 0.71 | — | — | |
| SCHEMBL27926956 | 0.71 | — | — | |
| SCHEMBL28328448 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL11141694 | 0.70 | — | — | |
| SCHEMBL27653350 | 0.69 | — | — | |
| SCHEMBL18669406 | 0.68 | — | — | |
| SCHEMBL9068307 | 0.67 | ALDH1A1 (0.30) | — | |
| SCHEMBL11141211 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101795639-A | Formable bioceramics | UNIV NORTH CAROLINA | 2010-08-04 | — | — | CN | claimed |
| CN-105126792-A | HIGH PURITY CHROMATROGRAPHIC MATERIALS COMPRISING AN IONIZABLE MODIFIER | WATERS TECHNOLOGIES CORP | 2015-12-09 | — | — | CN | disclosed |
| CN-101795639-A | Formable bioceramics | UNIV NORTH CAROLINA | 2010-08-04 | — | — | CN | disclosed |