⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28720734 | 0.89 | — | — | |
| SCHEMBL8746006 | 0.81 | — | — | |
| SCHEMBL28926429 | 0.74 | HPGD (0.42) | — | |
| SCHEMBL10614405 | 0.74 | — | — | |
| SCHEMBL15572589 | 0.74 | GAA (0.35) | — | |
| SCHEMBL23671721 | 0.70 | MAPT (0.33) | — | |
| SCHEMBL7186359 | 0.70 | MEN1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL28463818 | 0.70 | GAA (0.33) | — | |
| SCHEMBL1446287 | 0.70 | MEN1 (0.33) | — | |
| SCHEMBL7189612 | 0.70 | CA1 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3504216-A1 | 1,3-DITHIOLO[5,6-F]BENZO-2,1,3-THIADIAZOLE OR 1,3-DITHIOLO[6,7-G]QUINOXALINE BASED ORGANIC SEMICONDUCTORS | Merck Patent GmbH (DE) | 2019-07-03 | — | — | EP | disclosed |
| US-20190189925-A1 | ORGANIC SEMICONDUCTORS | MERCK PATENT GMBH (DE) | 2019-06-20 | — | — | US | disclosed |
| WO-2018041768-A1 | 1,3-DITHIOLO[5,6-F]BENZO-2,1,3-THIADIAZOLE OR 1,3-DITHIOLO[6,7-G]QUINOXALINE BASED ORGANIC SEMICONDUCTORS | MERCK PATENT GMBH (DE) | 2018-03-08 | — | — | WO | disclosed |
| WO-2018041768-A1 | 1,3-DITHIOLO[5,6-F]BENZO-2,1,3-THIADIAZOLE OR 1,3-DITHIOLO[6,7-G]QUINOXALINE BASED ORGANIC SEMICONDUCTORS | MERCK PATENT GMBH (DE) | 2018-03-08 | — | — | WO | disclosed |