⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9876132 | 0.85 | — | — | |
| SCHEMBL9825004 | 0.84 | HDAC4 (0.36) | — | |
| SCHEMBL9825137 | 0.82 | MAPT (0.36) | — | |
| SCHEMBL9825448 | 0.78 | CTSA (0.31) | — | |
| SCHEMBL9826194 | 0.76 | CASR (0.38) | — | |
| SCHEMBL9825553 | 0.75 | DCK (0.33) | — | |
| SCHEMBL9825549 | 0.75 | — | — | |
| SCHEMBL9876138 | 0.74 | NCF1 (0.34) | — | |
| SCHEMBL9875961 | 0.74 | CASR (0.35) | — | |
| SCHEMBL9824980 | 0.67 | CASR (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 |
|---|---|---|---|---|---|---|---|
| US-5037575-A | Photostability | MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) | 1991-08-06 | — | — | US | disclosed |
| EP-0187015-B1 | SQUARILIUM COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | MITSUBISHI KASEI CORPORATION (JP) | 1991-05-29 | — | — | EP | disclosed |