⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20031392 | 0.83 | CYP2C9 (0.33) | — | |
| SCHEMBL3623909 | 0.83 | — | — | |
| SCHEMBL24525978 | 0.83 | — | — | |
| SCHEMBL17231360 | 0.79 | — | — | |
| SCHEMBL772510 | 0.79 | — | — | |
| SCHEMBL20112968 | 0.76 | — | — | |
| SCHEMBL18231243 | 0.71 | — | — | |
| SCHEMBL10522047 | 0.69 | — | — | |
| SCHEMBL3612092 | 0.69 | — | — | |
| SCHEMBL12436746 | 0.69 | — | — |
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-20220123229-A1 | HETEROCYCLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE | SAMSUNG DISPLAY CO., LTD. (KR) | 2022-04-21 | — | — | US | disclosed |
| US-20180118887-A1 | PRECURSOR COMPOSITION, PHOTOSENSITIVE RESIN COMPOSITION, METHOD FOR PRODUCING PRECURSOR COMPOSITION, CURED FILM, METHOD FOR PRODUCING CURED FILM, AND SEMICONDUCTOR DEVICE | FUJIFILM CORPORATION (JP) | 2018-05-03 | — | — | US | disclosed |