⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5684317 | 0.82 | — | — | |
| Triphenylene SCHEMBL9343142 | 0.73 | HSD17B10 (0.35) | — | |
| SCHEMBL320976 | 0.71 | MIF (0.42) | — | |
| SCHEMBL28234866 | 0.69 | MIF (0.41) | — | |
| SCHEMBL136577 | 0.68 | HTR2A (0.41) | — | |
| SCHEMBL693020 | 0.68 | CYP1A2 (0.37) | — | |
| SCHEMBL9181380 | 0.68 | MIF (0.33) | — | |
| SCHEMBL28219163 | 0.67 | MIF (0.39) | — | |
| SCHEMBL2113933 | 0.67 | EPHX1 (0.44) | — | |
| SCHEMBL2025269 | 0.67 | MIF (0.30) | — |
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-2007051740-A1 | PROCESS FOR PREPARING POLYISOCYANATE MIXTURES | BASF SE (DE) | 2007-05-10 | — | — | WO | disclosed |