⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1131424 | 0.75 | SLC22A6 (0.32) | — | |
| SCHEMBL433624 | 0.74 | SLC22A6 (0.35) | — | |
| SCHEMBL129335 | 0.68 | SLC22A6 (0.30) | — | |
| SCHEMBL9796822 | 0.67 | TDP1 (0.32) | — | |
| SCHEMBL2469033 | 0.67 | SLC22A6 (0.32) | — | |
| SCHEMBL17873325 | 0.67 | — | — | |
| SCHEMBL9329820 | 0.66 | SLC22A6 (0.39) | — | |
| SCHEMBL23829966 | 0.65 | SLC22A6 (0.38) | — | |
| SCHEMBL23829965 | 0.65 | SLC22A6 (0.38) | — | |
| SCHEMBL9958647 | 0.64 | SLC22A6 (0.30) | — |
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-3066161-A1 | NOVEL BINDING AGENT SYSTEMS | Construction Research & Technology GmbH (DE) | 2016-09-14 | — | — | EP | claimed |
| WO-2015067478-A1 | NOVEL BINDING AGENT SYSTEMS | CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) | 2015-05-14 | — | — | WO | claimed |