⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9282787 | 0.79 | — | — | |
| SCHEMBL12388 | 0.75 | — | — | |
| SCHEMBL29406334 | 0.75 | — | — | |
| Formaldehyde SCHEMBL27665137 | 0.74 | TRPA1 (0.84) | — | |
| SCHEMBL29387276 | 0.72 | — | — | |
| SCHEMBL92167 | 0.72 | — | — | |
| SCHEMBL7014577 | 0.72 | — | — | |
| Methane SCHEMBL5950714 | 0.72 | TRPA1 (0.94) | — | |
| SCHEMBL1937639 | 0.72 | TRPA1 (0.94) | — | |
| SCHEMBL30046067 | 0.72 | TRPA1 (0.65) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190085007-A1 | 4-methylcatechol Derivatives and Uses Thereof | Thanares GmbH (DE) | 2019-03-21 | — | — | US | claimed |
| US-20160347782-A1 | 4-methylcatechol Derivatives and Uses Thereof | Thanares GmbH (DE) | 2016-12-01 | — | — | US | claimed |
| WO-2013034119-A1 | 4-METHYLCATECHOL DERIVATIVES UND USE THEREOF | Thanares GmbH (DE) | 2013-03-14 | — | — | WO | claimed |
| US-20190085007-A1 | 4-methylcatechol Derivatives and Uses Thereof | Thanares GmbH (DE) | 2019-03-21 | — | — | US | disclosed |
| US-20160347782-A1 | 4-methylcatechol Derivatives and Uses Thereof | Thanares GmbH (DE) | 2016-12-01 | — | — | US | disclosed |
| WO-2013034119-A1 | 4-METHYLCATECHOL DERIVATIVES UND USE THEREOF | Thanares GmbH (DE) | 2013-03-14 | — | — | WO | disclosed |