⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13035338 | 0.85 | CYP2A6 (1.00) | — | |
| SCHEMBL30359399 | 0.80 | CYP2A6 (1.00) | — | |
| SCHEMBL3615252 | 0.77 | CYP2A6 (1.00) | — | |
| SCHEMBL30963844 | 0.77 | CYP2A6 (0.74) | — | |
| SCHEMBL2958071 | 0.77 | CYP2A6 (1.00) | — | |
| Methane SCHEMBL7424052 | 0.75 | CYP2A6 (0.71) | — | |
| SCHEMBL1356085 | 0.74 | CYP17A1 (0.70) | — | |
| SCHEMBL28176747 | 0.73 | CYP2A6 (0.59) | — | |
| SCHEMBL7424044 | 0.72 | CYP2A6 (0.67) | — | |
| SCHEMBL13035333 | 0.72 | CYP2A6 (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4540230-A1 | ANILINO-PYRAZOLE DERIVATIVES, COMPOSITIONS AND METHODS THEREOF | Ensem Therapeutics, Inc. (US) | 2025-04-23 | — | — | EP | disclosed |
| WO-2023244710-A1 | ANILINO-PYRAZOLE DERIVATIVES, COMPOSITIONS AND METHODS THEREOF | ENSEM THERAPEUTICS, INC. (US) | 2023-12-21 | — | — | WO | disclosed |