⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL296318 | 0.82 | — | — | |
| SCHEMBL19624 | 0.82 | CA2 (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL8576681 | 0.82 | USP2 (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL7119873 | 0.79 | CA2 (0.37) | — | |
| SCHEMBL16730593 | 0.79 | USP2 (0.37) | — | |
| SCHEMBL513155 | 0.79 | CA2 (0.37) | — | |
| SCHEMBL1847016 | 0.79 | CA2 (0.37) | — | |
| SCHEMBL2680156 | 0.79 | CA2 (0.37) | — | |
| Ammonia Solution, Strong SCHEMBL35790 | 0.79 | CA2 (0.37) | — | |
| Sulfuric Acid SCHEMBL10645863 | 0.79 | CA5A (0.38) | — |
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-105392484-A | Combination of imidazopyridazine derivatives with mitotic agents for the treatment of cancer | Bayer Pharma AG | 2016-03-09 | — | — | CN | disclosed |
| EP-2069293-A2 | MANUFACTURE OF DIMETHYL ETHER OR OLEFINS FROM METHANE, USING DI(METHYL-SULFONYL) PEROXIDE AS RADICAL INITIATOR | Richards, Alan K. (US) | 2009-06-17 | — | — | EP | disclosed |
| WO-2007136425-A2 | MANUFACTURE OF DIMETHYL ETHER OR OLEFINS FROM METHANE, USING DI(METHYL-SULFONYL) PEROXIDE AS RADICAL INITIATOR | RICHARDS, ALAN, K. (US) | 2007-11-29 | — | — | WO | disclosed |
| CN-1137535-A | Aqueous polymer dispersions | BASF AG (DE) | 1996-12-11 | — | — | CN | disclosed |