⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22941779 | 0.87 | — | — | |
| SCHEMBL6392300 | 0.84 | CYP2C19 (0.42) | — | |
| SCHEMBL24186260 | 0.80 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL5551678 | 0.76 | FFAR3 (0.32) | — | |
| SCHEMBL17400902 | 0.71 | — | — | |
| SCHEMBL19361073 | 0.69 | — | — | |
| SCHEMBL14233552 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL3142298 | 0.62 | FFAR3 (0.44) | — | |
| SCHEMBL638256 | 0.62 | FFAR3 (0.37) | — | |
| SCHEMBL204371 | 0.62 | FFAR3 (0.44) | — |
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-6566338-B1 | Administering caspase inhibitor for therapy of oral mucositis, gastrointestinal mucositis, bladder mucositis or proctitis resulting from chemotherapy or radiation therapy of cancer in an animal | CYTOVIA, INC. | 2003-05-20 | — | — | US | disclosed |
| WO-1997009983-A1 | PIPERIDINE DERIVATIVES AND PROCESSES FOR THEIR PRODUCTION | ALBANY MOLECULAR RESEARCH, INC. (US) | 1997-03-20 | — | — | WO | disclosed |