⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11501663 | 0.88 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL10169614 | 0.88 | CYP1A2 (0.31) | — | |
| SCHEMBL8522325 | 0.86 | GBA1 (0.41) | — | |
| SCHEMBL19246232 | 0.84 | CYP1A2 (0.33) | — | |
| SCHEMBL17472537 | 0.82 | — | — | |
| SCHEMBL10304159 | 0.76 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL6560470 | 0.75 | GBA1 (0.39) | — | |
| SCHEMBL11324571 | 0.74 | GBA1 (0.42) | — | |
| SCHEMBL17601882 | 0.73 | — | — | |
| SCHEMBL7981943 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4293717-A | Process for preparing aldehydes and diols | BAYER AKTIENGESELLSCHAFT (DE) | 1981-10-06 | — | — | US | claimed |
| US-4293717-A | Process for preparing aldehydes and diols | BAYER AKTIENGESELLSCHAFT (DE) | 1981-10-06 | — | — | US | disclosed |
| US-3972944-A | BORON OXIDE, BORIC ACID OR BORATE AND VANADIUM OR MOLYBDENUM CONTAINING CATALYST | BAYER AKTIENGESELLSCHAFT (DT) | 1976-08-03 | — | — | US | disclosed |