⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16702853 | 1.00 | — | — | |
| SCHEMBL2373861 | 1.00 | — | — | |
| SCHEMBL626060 | 0.96 | — | — | |
| SCHEMBL15200703 | 0.89 | — | — | |
| SCHEMBL7110488 | 0.89 | TRPA1 (0.32) | — | |
| SCHEMBL16095480 | 0.89 | TRPA1 (0.32) | — | |
| SCHEMBL7114578 | 0.89 | — | — | |
| SCHEMBL820047 | 0.84 | — | — | |
| SCHEMBL13735986 | 0.82 | TSHR (0.31) | — | |
| SCHEMBL5945223 | 0.76 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3430654-A1 | ORGANIC SEMICONDUCTORS | Merck Patent GmbH (DE) | 2019-01-23 | — | — | EP | disclosed |
| EP-3411374-A1 | [1,5]NAPHTHYRIDINE COMPOUNDS AND POLYMERS AS SEMICONDUCTORS | Merck Patent GmbH (DE) | 2018-12-12 | — | — | EP | disclosed |
| WO-2017157504-A1 | ORGANIC SEMICONDUCTORS | MERCK PATENT GMBH (DE) | 2017-09-21 | — | — | WO | disclosed |
| WO-2017133752-A1 | [1,5]NAPHTHYRIDINE COMPOUNDS AND POLYMERS AS SEMICONDUCTORS | MERCK PATENT GMBH (DE) | 2017-08-10 | — | — | WO | disclosed |
| EP-2935235-A1 | INDENOPHENANTHRENE BASED COMPOUNDS | Merck Patent GmbH (DE) | 2015-10-28 | — | — | EP | disclosed |
| EP-2867271-A1 | CONJUGATED POLYMERS | Merck Patent GmbH (DE) | 2015-05-06 | — | — | EP | disclosed |
| WO-2014094954-A1 | INDENOPHENANTHRENE BASED COMPOUNDS | MERCK PATENT GMBH (DE) | 2014-06-26 | — | — | WO | disclosed |
| WO-2014005667-A1 | CONJUGATED POLYMERS | MERCK PATENT GMBH (DE) | 2014-01-09 | — | — | WO | disclosed |