⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11315912 | 1.00 | — | — | |
| SCHEMBL15294531 | 1.00 | — | — | |
| SCHEMBL1756137 | 0.75 | — | — | |
| SCHEMBL1077474 | 0.75 | — | — | |
| SCHEMBL6067838 | 0.71 | — | — | |
| SCHEMBL1968046 | 0.71 | — | — | |
| SCHEMBL8161505 | 0.71 | — | — | |
| SCHEMBL5580083 | 0.71 | — | — | |
| SCHEMBL909989 | 0.71 | — | — | |
| SCHEMBL21585573 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |