⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11600319 | 0.70 | — | — | |
| SCHEMBL3550504 | 0.63 | — | — | |
| SCHEMBL2402596 | 0.59 | — | — | |
| SCHEMBL8728573 | 0.59 | — | — | |
| SCHEMBL1979005 | 0.56 | — | — | |
| SCHEMBL996 | 0.56 | — | — | |
| SCHEMBL8487849 | 0.56 | — | — | |
| Chloroform SCHEMBL5805085 | 0.54 | — | — | |
| SCHEMBL23396 | 0.54 | — | — | |
| SCHEMBL5705554 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5625079-A | Synthesizing psoralen compounds useful as intermediates | CERUS CORPORATION (US) | 1997-04-29 | — | — | US | disclosed |