⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9737765 | 0.86 | ABCB1 (0.38) | — | |
| SCHEMBL9736949 | 0.86 | MAPT (0.32) | — | |
| SCHEMBL9735313 | 0.86 | ALOX5 (0.32) | — | |
| SCHEMBL9737313 | 0.82 | PKM (0.31) | — | |
| SCHEMBL9736485 | 0.81 | IDO1 (0.32) | — | |
| SCHEMBL9735552 | 0.80 | IDO1 (0.32) | — | |
| SCHEMBL9735702 | 0.78 | PBRM1 (0.31) | — | |
| SCHEMBL9735711 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL7331735 | 0.72 | ABCB1 (0.39) | — | |
| SCHEMBL9736521 | 0.69 | AXL (0.32) | — |
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-5130322-A | CHROMAN DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-07-14 | — | — | US | disclosed |
| EP-0415065-A1 | Chroman derivatives | MERCK PATENT GmbH (DE) | 1991-03-06 | — | — | EP | disclosed |