⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL812952 | 0.91 | — | — | |
| Ethane SCHEMBL8632856 | 0.77 | — | — | |
| Hexane SCHEMBL8633348 | 0.77 | TDP1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL31498257 | 0.74 | CYP19A1 (0.30) | — | |
| SCHEMBL7602769 | 0.73 | RET (0.31) | — | |
| SCHEMBL6533450 | 0.72 | — | — | |
| Propane SCHEMBL8632264 | 0.72 | — | — | |
| Hexane SCHEMBL8633797 | 0.72 | TDP1 (0.32) | — | |
| SCHEMBL814660 | 0.71 | — | — | |
| Ethane SCHEMBL8633242 | 0.71 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1238026-B2 | PIGMENT CONCENTRATES AND METHODS FOR PRODUCTION THEREOF | BASF AG (DE) | 2007-01-24 | — | — | EP | claimed |