⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9004539 | 0.77 | ALDH1A1 (0.46) | — | |
| SCHEMBL9004553 | 0.75 | STAT3 (0.32) | — | |
| SCHEMBL9004541 | 0.75 | — | — | |
| SCHEMBL1662210 | 0.74 | OXER1 (0.30) | — | |
| SCHEMBL13433285 | 0.73 | — | — | |
| SCHEMBL13433280 | 0.73 | — | — | |
| SCHEMBL10586612 | 0.72 | — | — | |
| SCHEMBL1284015 | 0.72 | — | — | |
| SCHEMBL13433286 | 0.72 | OXER1 (0.36) | — | |
| SCHEMBL8898363 | 0.71 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106837217-A | For oil well and/or the composition comprising terpenol and method of gas well | 弗洛泰克化学有限责任公司 | 2017-06-13 | — | — | CN | disclosed |
| CN-105971571-A | Methods and compositions for use in oil and/or gas wells | CESI化工有限公司 | 2016-09-28 | — | — | CN | disclosed |
| US-6790644-B2 | ISOLATED FROM ACINETOBACTER JOHNSONII, WHICH DECONTAMINATES/ METABOLIZES ACETYLACETONE | BIOCATALYTICS, INC. | 2004-09-14 | — | — | US | disclosed |
| US-20030148487-A1 | 1,3-dicarbonyl-dioxygenase - a new c-c-bond cleaving enzyme | CODEXIS, INC. | 2003-08-07 | — | — | US | disclosed |