⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31221876 | 0.81 | — | — | |
| SCHEMBL31221953 | 0.79 | CREBBP (0.35) | — | |
| SCHEMBL31222063 | 0.79 | CREBBP (0.40) | — | |
| SCHEMBL31221986 | 0.79 | PKM (0.30) | — | |
| SCHEMBL31221922 | 0.78 | PIK3CG (0.36) | — | |
| SCHEMBL31221982 | 0.76 | SOS1 (0.33) | — | |
| SCHEMBL31221914 | 0.76 | CREBBP (0.34) | — | |
| SCHEMBL31221907 | 0.75 | LMNA (0.37) | — | |
| SCHEMBL31222005 | 0.75 | BRD4 (0.33) | — | |
| SCHEMBL31221904 | 0.74 | HTR6 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024232599-A1 | NOVEL BENZOTHIOPHENE DERIVATIVE INHIBITING BET PROTEIN AND COMPOSITION FOR TREATMENT OF CANCER, USING SAME | 주식회사 베노바이오 | 2024-11-14 | — | — | WO | disclosed |