⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24153493 | 0.96 | HDAC6 (0.38) | — | |
| SCHEMBL24153499 | 0.90 | HTR1A (0.39) | — | |
| SCHEMBL24153472 | 0.89 | HTR1A (0.39) | — | |
| SCHEMBL24153600 | 0.88 | MCHR1 (0.37) | — | |
| SCHEMBL24153475 | 0.86 | KMT2A (0.38) | — | |
| SCHEMBL24153484 | 0.86 | NPY1R (0.37) | — | |
| SCHEMBL24153602 | 0.85 | HSD17B10 (0.38) | — | |
| SCHEMBL24939891 | 0.84 | LMNA (0.42) | — | |
| SCHEMBL24938892 | 0.84 | NPY1R (0.41) | — | |
| SCHEMBL24153500 | 0.83 | HTR1A (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230019094-A1 | NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER COMPRISING SAME | HOLOSMEDIC (KR) | 2023-01-19 | — | — | US | disclosed |
| WO-2021261969-A1 | PREPARATION METHOD FOR NOVEL COMPOUND | 홀로스메딕 주식회사 | 2021-12-30 | — | — | WO | disclosed |