⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3722648 | 0.94 | KCNH2 (0.35) | — | |
| SCHEMBL21770795 | 0.92 | KCNH2 (0.38) | — | |
| SCHEMBL3724213 | 0.86 | — | — | |
| SCHEMBL989895 | 0.84 | CES1 (0.38) | — | |
| SCHEMBL18462195 | 0.79 | HTR1A (0.38) | — | |
| SCHEMBL2098003 | 0.75 | TLR7 (0.31) | — | |
| SCHEMBL11346517 | 0.74 | CA2 (0.35) | — | |
| SCHEMBL20969048 | 0.72 | TLR7 (0.33) | — | |
| SCHEMBL15407620 | 0.71 | PSEN1 (0.31) | — | |
| SCHEMBL2098002 | 0.71 | CES1 (0.31) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3765458-B1 | O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS | BIOGEN MA INC (US) | 2023-01-11 | — | — | EP | disclosed |
| CN-103304557-A | Organic semiconductor material containing spirofluorene, preparation method thereof and organic light-emitting device | OCEANS KING LIGHTING SCIENCE | 2013-09-18 | — | — | CN | disclosed |
| CN-103172586-A | Oxadiazole-containing organic semiconductor material and preparation method thereof and organic electroluminescent device | OCEANS KING LIGHTING SCIENCE | 2013-06-26 | — | — | CN | disclosed |
| EP-1278520-A4 | DIARYL PIPERIDYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS | MERCK & CO INC (US) | 2003-05-02 | — | — | EP | disclosed |
| EP-1278520-A1 | DIARYL PIPERIDYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS | Merck & Co., Inc. (US) | 2003-01-29 | — | — | EP | disclosed |
| WO-2001034149-A1 | DIARYL PIPERIDYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS | MERCK & CO., INC. (US) | 2001-05-17 | — | — | WO | disclosed |
| US-4067987-A | 3-LOWERALKYL-1,2,4-OXADIAZOLES | MERCK & CO., INC. (US) | 1978-01-10 | — | — | US | disclosed |