⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL27931426 | 0.94 | — | — | |
| SCHEMBL27868949 | 0.88 | — | — | |
| Hydrazine SCHEMBL28009365 | 0.88 | FEN1 (0.52) | — | |
| SCHEMBL5892467 | 0.86 | ESR1 (0.52) | — | |
| Isothiocyanate SCHEMBL28406152 | 0.82 | ESR1 (0.44) | — | |
| SCHEMBL28924716 | 0.82 | ESR1 (0.48) | — | |
| SCHEMBL23173084 | 0.80 | AKR1C3 (0.58) | — | |
| SCHEMBL19308531 | 0.80 | FEN1 (0.50) | — | |
| Acetic Acid SCHEMBL28440456 | 0.80 | AKR1C3 (0.54) | — | |
| SCHEMBL13703908 | 0.80 | AKR1C3 (0.58) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111201225-B | Coumarin-like ring compound as MEK inhibitor and application thereof | 基石药业 | 2021-11-05 | — | — | CN | disclosed |
| WO-2020123022-A1 | SURFACE ENGINEERED ORGANIC-INORGANIC HYBRID PEROVSKITE NANOCRYSTALS AND APPLICATIONS THEREOF | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2020-06-18 | — | — | WO | disclosed |
| CN-111201225-A | Coumarin-like ring compound as MEK inhibitor and application thereof | 基石药业 | 2020-05-26 | — | — | CN | disclosed |
| EP-1940781-A1 | PHENYL-ACETAMIDE NNRT INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-07-09 | — | — | EP | disclosed |
| US-7388111-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2008-06-17 | — | — | US | disclosed |
| WO-2007045573-A1 | PHENYL-ACETAMIDE NNRT INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-04-26 | — | — | WO | disclosed |
| US-20070088053-A1 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC | 2007-04-19 | — | — | US | disclosed |