⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31409432 | 1.00 | — | — | |
| SCHEMBL4257796 | 1.00 | — | — | |
| SCHEMBL30970935 | 0.72 | — | — | |
| SCHEMBL7641044 | 0.72 | AKR1B1 (0.32) | — | |
| SCHEMBL2235523 | 0.71 | — | — | |
| SCHEMBL313602 | 0.70 | AKR1B1 (0.39) | — | |
| SCHEMBL16798783 | 0.70 | AKR1B1 (0.39) | — | |
| SCHEMBL9789690 | 0.70 | AKR1B1 (0.31) | — | |
| Alcohol SCHEMBL22806740 | 0.70 | AKR1B1 (0.35) | — | |
| SCHEMBL14323419 | 0.70 | AKR1B1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025038041-A2 | PRODUCTION OF DL-PANTOIC ACID AND DL-PANTOLACTONE VIA CONDENSATION OF HYDROXYPIVALDEHYDE AND C1-DERIVED FORMYL-COA | MOJIA BIOTECH PTE. LTD. (SG) | 2025-02-20 | — | — | WO | claimed |
| WO-2025038041-A2 | PRODUCTION OF DL-PANTOIC ACID AND DL-PANTOLACTONE VIA CONDENSATION OF HYDROXYPIVALDEHYDE AND C1-DERIVED FORMYL-COA | MOJIA BIOTECH PTE. LTD. (SG) | 2025-02-20 | — | — | WO | disclosed |