⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL183551 | 0.86 | — | — | |
| SCHEMBL901053 | 0.78 | ALDH1A1 (0.50) | — | |
| SCHEMBL17514990 | 0.76 | TDP1 (0.60) | — | |
| SCHEMBL9541399 | 0.74 | — | — | |
| SCHEMBL17537579 | 0.74 | ALDH1A1 (0.52) | — | |
| SCHEMBL183237 | 0.74 | — | — | |
| SCHEMBL25496318 | 0.74 | — | — | |
| SCHEMBL20163169 | 0.74 | — | — | |
| SCHEMBL257119 | 0.74 | — | — | |
| SCHEMBL16853080 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160244790-A1 | ENZYMATIC AMINATION | EVONIK DEGUSSA GMBH (DE) | 2016-08-25 | — | — | US | disclosed |
| WO-2016081010-A1 | ACID-CATALYZED ACYLATION OF 5-(HYDROXYLMETHYL)-FURFURAL REDUCTION PRODUCTS | ARCHER DANIELS MIDLAND COMPANY (US) | 2016-05-26 | — | — | WO | disclosed |
| WO-2015094970-A1 | MONO- AND DIALKYL ETHERS OF FURAN-2,5-DIMETHANOL AND (TETRA-HYDROFURAN-2,5-DIYL)DIMETHANOL AND AMPHIPHILIC DERIVATIVES THEREOF | ARCHER DANIELS MIDLAND COMPANY (US) | 2015-06-25 | — | — | WO | disclosed |