⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11969830 | 0.73 | — | — | |
| SCHEMBL5006369 | 0.73 | CGAS (0.42) | — | |
| Water SCHEMBL2448609 | 0.71 | CGAS (0.44) | — | |
| Water SCHEMBL6788837 | 0.71 | CGAS (0.44) | — | |
| SCHEMBL10765607 | 0.67 | CGAS (0.41) | — | |
| SCHEMBL9815359 | 0.65 | CGAS (0.46) | — | |
| SCHEMBL1899826 | 0.64 | — | — | |
| SCHEMBL162924 | 0.63 | — | — | |
| Water SCHEMBL15331255 | 0.60 | LMNA (0.58) | — | |
| SCHEMBL15331401 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9676733-B2 | Method for obtaining solutions of OTA in a concentrated sulfuric acid medium; said solutions; and method for preparing ONTA | HERAKLES (FR) | 2017-06-13 | — | — | US | disclosed |
| US-20160046588-A1 | METHOD FOR OBTAINING SOLUTIONS OF OTA IN A CONCENTRATED SULFURIC ACID MEDIUM; SAID SOLUTIONS; AND METHOD FOR PREPARING ONTA | ARIANEGROUP SAS (FR) | 2016-02-18 | — | — | US | disclosed |