⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30895346 | 1.00 | GRIN2D (0.39) | — | |
| SCHEMBL24838601 | 0.91 | — | — | |
| SCHEMBL9551519 | 0.88 | GRIN2D (0.36) | — | |
| SCHEMBL3193842 | 0.86 | GRIN2D (0.34) | — | |
| SCHEMBL8472794 | 0.80 | — | — | |
| SCHEMBL7037240 | 0.80 | GRIN2D (0.35) | — | |
| SCHEMBL7862753 | 0.78 | DNM1 (0.40) | — | |
| SCHEMBL6868041 | 0.78 | CA12 (0.40) | — | |
| Bromide SCHEMBL3366389 | 0.78 | — | — | |
| SCHEMBL11967584 | 0.76 | CPB2 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0866817-B1 | PROCESS FOR PREPARING SELF-RELEASING, COMPACT OR CELLULAR MOULDED BODIES OPTIONALLY CONTAINING REINFORCING AGENTS AND MADE OF POLYISOCYANATE POLYADDITON PRODUCTS AND INTERNAL MOULD RELEASE AGENTS THEREFOR | BASF AG (DE) | 1999-09-01 | — | — | EP | disclosed |