⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7193029 | 0.72 | — | — | |
| SCHEMBL1448248 | 0.71 | — | — | |
| SCHEMBL638 | 0.61 | — | — | |
| SCHEMBL3299268 | 0.61 | — | — | |
| Water SCHEMBL25332890 | 0.55 | — | — | |
| Water SCHEMBL23631872 | 0.55 | — | — | |
| SCHEMBL23275586 | 0.55 | — | — | |
| SCHEMBL23850960 | 0.50 | — | — | |
| SCHEMBL9125749 | 0.50 | — | — | |
| SCHEMBL9477958 | 0.50 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115219443-A | Conjugate | 株式会社电装 | 2022-10-21 | — | — | CN | disclosed |
| US-5698758-A | Aluminum phosphate composition with high pore volume and large pore diameter, process for its production and use thereof | W. R. GRACE & CO.-CONN. (US) | 1997-12-16 | — | — | US | disclosed |
| EP-0598464-B1 | Aluminum phosphate composition with high pore volume and large pore diameter, process for its production and use thereof | GRACE GMBH (DE) | 1996-09-11 | — | — | EP | disclosed |
| US-5552361-A | Aluminum phosphate composition with high pore volume and large pore diameter, process for its production and use thereof | W. R. GRACE & CO.-CONN. (US) | 1996-09-03 | — | — | US | disclosed |
| EP-0598464-A1 | Aluminum phosphate composition with high pore volume and large pore diameter, process for its production and use thereof | GRACE GmbH (DE) | 1994-05-25 | — | — | EP | disclosed |