⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28124906 | 0.95 | — | — | |
| SCHEMBL2765 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL4972828 | 0.90 | — | — | |
| Hydrogen Sulfide SCHEMBL27930911 | 0.90 | — | — | |
| Lithium SCHEMBL30434301 | 0.90 | — | — | |
| SCHEMBL31500732 | 0.90 | — | — | |
| SCHEMBL1502365 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL28757273 | 0.90 | — | — | |
| SCHEMBL28229615 | 0.86 | — | — | |
| SCHEMBL27363200 | 0.86 | TSHR (0.82) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110114383-A | Soft polyurethane foam, material for clothing, bra pad, bra cup, and process for producing soft polyurethane foam | 三井化学株式会社 | 2019-08-09 | — | — | CN | disclosed |
| CN-109890863-A | The manufacturing method of polyurethane foam, dress material material, bra liner, brassiere cup and polyurethane foam | 三井化学株式会社 | 2019-06-14 | — | — | CN | disclosed |