⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6849823 | 0.83 | CES1 (0.35) | — | |
| SCHEMBL30855591 | 0.69 | — | — | |
| SCHEMBL30855589 | 0.67 | — | — | |
| SCHEMBL30855593 | 0.66 | — | — | |
| SCHEMBL30855592 | 0.65 | CYP1A2 (0.36) | — | |
| SCHEMBL6853102 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL1269355 | 0.62 | MAPT (0.37) | — | |
| SCHEMBL30978073 | 0.62 | MAPT (0.37) | — | |
| SCHEMBL11546535 | 0.61 | HTR2C (0.36) | — | |
| SCHEMBL29261141 | 0.60 | CNR2 (0.33) | — |
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-6777111-B1 | HEAT ENDURANCE; LOW CRYSTALLINITY; EMPLOYING CONDENSED RING DERIVATIVE | KABUSHIKI KAISHA CHUO KENKYUSHO (JP) | 2004-08-17 | — | — | US | disclosed |