⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25788617 | 0.79 | AOC3 (0.34) | — | |
| SCHEMBL17740799 | 0.74 | — | — | |
| SCHEMBL16693864 | 0.72 | — | — | |
| SCHEMBL135278 | 0.70 | — | — | |
| SCHEMBL24328485 | 0.67 | — | — | |
| SCHEMBL15932163 | 0.67 | — | — | |
| SCHEMBL21961646 | 0.67 | — | — | |
| SCHEMBL3281141 | 0.67 | — | — | |
| SCHEMBL2282277 | 0.67 | — | — | |
| SCHEMBL26940437 | 0.67 | ALDH1A1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024020458-A1 | METHOD OF TREATING ORGAN DISEASES OR DISORDERS WITH ASK1 INHIBITORS | Seal Rock Therapeutics, Inc. (US) | 2024-01-25 | — | — | WO | disclosed |
| EP-3611165-B1 | PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT | MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) | 2023-08-16 | — | — | EP | disclosed |
| WO-2021195066-A2 | KCNT1 INHIBITORS AND METHODS OF USE | PRAXIS PRECISION MEDICINES, INC. (US) | 2021-09-30 | — | — | WO | disclosed |
| US-9969679-B2 | Anti-proliferative compounds and uses thereof | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2018-05-15 | — | — | US | disclosed |