⚠ 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 | |
|---|---|---|---|---|
| Valeric Acid SCHEMBL30442925 | 0.97 | — | — | |
| Valeric Acid SCHEMBL1331209 | 0.97 | — | — | |
| Valeric Acid SCHEMBL30381737 | 0.97 | — | — | |
| Valeric Acid SCHEMBL5886 | 0.97 | — | — | |
| Valeric Acid SCHEMBL1333240 | 0.97 | — | — | |
| Valeric Acid SCHEMBL2154370 | 0.97 | AKR1B1 (0.82) | — | |
| Valeric Acid SCHEMBL1331662 | 0.97 | — | — | |
| Valeric Acid SCHEMBL23121555 | 0.94 | — | — | |
| Valeric Acid SCHEMBL3683484 | 0.94 | — | — | |
| Valeric Acid SCHEMBL5047450 | 0.94 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118439656-A | Preparation method of amorphous carbon coated sodium titanium niobate doped hard carbon composite material | 晖阳(贵州)新能源材料有限公司 | 2024-08-06 | — | — | CN | claimed |
| CN-117448845-A | Ternary electrolyzed water catalyst and preparation method and application thereof | 华能张掖能源有限公司 | 2024-01-26 | — | — | CN | claimed |
| CN-118439656-A | Preparation method of amorphous carbon coated sodium titanium niobate doped hard carbon composite material | 晖阳(贵州)新能源材料有限公司 | 2024-08-06 | — | — | CN | disclosed |
| US-4524264-A | Temperature control apparatus | KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) | 1985-06-18 | — | — | US | disclosed |