⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26745407 | 0.86 | HRH3 (0.31) | — | |
| SCHEMBL26745413 | 0.86 | HRH3 (0.31) | — | |
| SCHEMBL26742133 | 0.86 | HRH3 (0.31) | — | |
| SCHEMBL29322928 | 0.81 | OPRM1 (0.33) | — | |
| SCHEMBL26746306 | 0.78 | HRH3 (0.30) | — | |
| SCHEMBL26746302 | 0.78 | HRH3 (0.30) | — | |
| SCHEMBL26752716 | 0.78 | HRH3 (0.30) | — | |
| SCHEMBL26752719 | 0.78 | HRH3 (0.30) | — | |
| SCHEMBL26746297 | 0.78 | HRH3 (0.30) | — | |
| SCHEMBL26256353 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20240238423-A9 | TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS | Treeline Biosciences, Inc. | 2024-07-18 | — | — | US | disclosed |