⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19105221 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL10883208 | 0.77 | CA2 (0.38) | — | |
| SCHEMBL5702707 | 0.76 | — | — | |
| SCHEMBL19105449 | 0.72 | — | — | |
| SCHEMBL3103678 | 0.72 | — | — | |
| SCHEMBL3103684 | 0.72 | — | — | |
| SCHEMBL6717780 | 0.70 | — | — | |
| SCHEMBL6717773 | 0.70 | — | — | |
| SCHEMBL19105247 | 0.70 | HDAC1 (0.34) | — | |
| SCHEMBL10885793 | 0.70 | HDAC1 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4134812-A | BLENDING WITH TETRAKIS-(METHYLENE-(3,5-DI-T-BUTYL)-4-HYDROXY-HYDROCINNAMATE)-METHANE, CROSSLINKING WITH AN ACETYLENIC COMPOUND | THE FURUKAWA ELECTRIC CO., LTD. (JP) | 1979-01-16 | — | — | US | disclosed |