⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25976562 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL15068402 | 0.84 | MTNR1A (0.39) | — | |
| SCHEMBL18600542 | 0.75 | AKR1B1 (0.39) | — | |
| SCHEMBL15068367 | 0.73 | CNR2 (0.39) | — | |
| SCHEMBL1688141 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL15158812 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL15160348 | 0.68 | ALDH1A1 (0.35) | — | |
| SCHEMBL15068425 | 0.67 | ALDH1A1 (0.34) | — | |
| SCHEMBL31361338 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL20766473 | 0.66 | CCR8 (0.45) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230255963-A1 | SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION | GLOBAL BLOOD THERAPEUTICS INC (US) | 2023-08-17 | — | — | US | disclosed |