⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23928 | 0.93 | — | — | |
| SCHEMBL19712821 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL11264316 | 0.86 | — | — | |
| SCHEMBL19712592 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL28678446 | 0.80 | — | — | |
| SCHEMBL9796434 | 0.76 | — | — | |
| SCHEMBL28353253 | 0.72 | — | — | |
| Methylene Chloride SCHEMBL7946978 | 0.68 | — | — | |
| SCHEMBL42028 | 0.67 | — | — | |
| SCHEMBL11766301 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113636594-A | Recovery method for titanium tetrachloride-containing mother liquor | 中国石油化工股份有限公司 | 2021-11-12 | — | — | CN | disclosed |