⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14402164 | 0.78 | INMT (0.33) | — | |
| SCHEMBL27420434 | 0.76 | — | — | |
| SCHEMBL13555502 | 0.74 | DPP4 (0.35) | — | |
| SCHEMBL11982537 | 0.74 | INMT (0.34) | — | |
| Hydrochloric Acid SCHEMBL14244165 | 0.72 | — | — | |
| SCHEMBL13698601 | 0.72 | GAA (0.39) | — | |
| SCHEMBL4340781 | 0.70 | — | — | |
| SCHEMBL21946652 | 0.70 | — | — | |
| SCHEMBL14244166 | 0.69 | — | — | |
| SCHEMBL8242236 | 0.68 | — | — |
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-20240217952-A1 | TREATMENT OF GRAFT-VERSUS-HOST DISEASE WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN | POSEIDON INNOVATION 1, INC. | 2024-07-04 | — | — | US | disclosed |