⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16406482 | 0.72 | ST6GAL1 (0.41) | — | |
| SCHEMBL16408426 | 0.60 | ST6GAL1 (0.41) | — | |
| SCHEMBL16408430 | 0.55 | ALOX5 (0.38) | — | |
| SCHEMBL1665178 | 0.48 | HPGD (0.58) | — | |
| SCHEMBL3392019 | 0.47 | ALDH1A1 (0.45) | — | |
| SCHEMBL3389759 | 0.47 | ALDH1A1 (0.44) | — | |
| SCHEMBL1665643 | 0.46 | ALDH1A1 (0.57) | — | |
| SCHEMBL16136730 | 0.46 | — | — | |
| SCHEMBL7360479 | 0.46 | FFAR4 (0.43) | — | |
| SCHEMBL24967214 | 0.46 | CYP1A2 (0.42) | — |
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-9216987-B2 | Chroman derivative | TMS CO., LTD. (JP) | 2015-12-22 | — | — | US | disclosed |
| US-20150025251-A1 | CHROMAN DERIVATIVE | TMS CO., LTD. (JP) | 2015-01-22 | — | — | US | disclosed |