⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12801166 | 0.72 | — | — | |
| SCHEMBL8064344 | 0.72 | — | — | |
| SCHEMBL14981241 | 0.72 | — | — | |
| SCHEMBL14258780 | 0.70 | — | — | |
| SCHEMBL19192323 | 0.70 | — | — | |
| SCHEMBL8268081 | 0.70 | — | — | |
| SCHEMBL24628993 | 0.70 | — | — | |
| SCHEMBL14191932 | 0.70 | — | — | |
| SCHEMBL12163412 | 0.70 | — | — | |
| SCHEMBL13370350 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3663308-A1 | ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND | Samsung Electronics Co., Ltd. (KR) | 2020-06-10 | — | — | EP | disclosed |
| EP-2627178-B1 | QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS | MERCK SHARP & DOHME (US) | 2018-05-02 | — | — | EP | disclosed |