⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18771851 | 0.84 | NOS3 (0.33) | — | |
| SCHEMBL24339450 | 0.84 | — | — | |
| SCHEMBL5147224 | 0.69 | — | — | |
| SCHEMBL23969259 | 0.67 | — | — | |
| SCHEMBL20104547 | 0.66 | — | — | |
| SCHEMBL9524726 | 0.65 | — | — | |
| SCHEMBL21739708 | 0.64 | NOS3 (0.35) | — | |
| SCHEMBL20837468 | 0.63 | — | — | |
| SCHEMBL31648487 | 0.63 | — | — | |
| SCHEMBL19075292 | 0.63 | NOS3 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022078996-A1 | VALUE CHAIN RETURN PROCESS FOR SPENT POLYURETHANES BY HYDROGENATION | BASF SE (DE) | 2022-04-21 | — | — | WO | disclosed |