⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL139387 | 1.00 | — | — | |
| SCHEMBL154686 | 0.71 | HIF1A (0.42) | — | |
| SCHEMBL22173857 | 0.71 | HIF1A (0.42) | — | |
| SCHEMBL2869871 | 0.70 | IDO1 (0.37) | — | |
| SCHEMBL29451096 | 0.68 | ABCB1 (0.42) | — | |
| SCHEMBL113139 | 0.68 | ABCB1 (0.42) | — | |
| SCHEMBL25373810 | 0.68 | ABCB1 (0.42) | — | |
| SCHEMBL2006800 | 0.68 | ABCB1 (0.42) | — | |
| SCHEMBL17023946 | 0.67 | RAB9A (0.36) | — | |
| SCHEMBL2875626 | 0.67 | KCNA5 (0.34) | — |
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-9242992-B2 | Crystal form of tricyclic benzopyran compound and production method thereof | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2016-01-26 | — | — | US | disclosed |
| US-20120059169-A1 | NOVEL CRYSTAL FORM OF TRICYCLIC BENZOPYRAN COMPOUND AND PRODUCTION METHOD THEREOF | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2012-03-08 | — | — | US | disclosed |