⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10959556 | 0.72 | CYP2A6 (0.54) | — | |
| SCHEMBL28176747 | 0.68 | CYP2A6 (0.59) | — | |
| SCHEMBL2076026 | 0.67 | GABRA1 (0.49) | — | |
| SCHEMBL13977897 | 0.65 | CYP2A6 (0.50) | — | |
| SCHEMBL11157639 | 0.64 | CYP2A6 (0.39) | — | |
| SCHEMBL5349799 | 0.64 | CYP2A6 (0.42) | — | |
| SCHEMBL29817920 | 0.64 | BACE1 (0.45) | — | |
| SCHEMBL3227703 | 0.64 | GABRG2 (0.64) | — | |
| SCHEMBL20272020 | 0.64 | GABRG2 (0.41) | — | |
| SCHEMBL30714232 | 0.64 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2032080-A | — | — | None | — | — | JP | disclosed |
| JP-H0232080-A | PYRANO OR THIOPYRANO(4,3-C)PYRAZOLE DERIVATIVE AND HERBICIDE CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT | MITSUI TOATSU CHEM INC | 1990-02-01 | — | — | JP | disclosed |
| US-3979381-A | ANTIINFLAMMATORY | E. R. SQUIBB & SONS, INC. (US) | 1976-09-07 | — | — | US | disclosed |
| US-3979381-A | ANTIINFLAMMATORY | E. R. SQUIBB & SONS, INC. (US) | 1976-09-07 | — | — | US | disclosed |