⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27578620 | 0.77 | PAX8 (0.44) | — | |
| SCHEMBL3982894 | 0.77 | CYP1A2 (0.31) | — | |
| SCHEMBL24875159 | 0.75 | CA12 (0.33) | — | |
| Hydrochloric Acid SCHEMBL9514546 | 0.75 | KDM4E (0.30) | — | |
| SCHEMBL16825102 | 0.71 | RIPK1 (0.34) | — | |
| SCHEMBL27450905 | 0.70 | — | — | |
| SCHEMBL1132413 | 0.69 | — | — | |
| SCHEMBL276535 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL27281530 | 0.67 | — | — | |
| SCHEMBL13900571 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106011785-A | Method for preparing high-uniformity Nb-doped TiO2 transparent conducting thin film through atomic layer deposition | 上海纳米技术及应用国家工程研究中心有限公司 | 2016-10-12 | — | — | CN | claimed |
| CN-106011785-A | Method for preparing high-uniformity Nb-doped TiO2 transparent conducting thin film through atomic layer deposition | 上海纳米技术及应用国家工程研究中心有限公司 | 2016-10-12 | — | — | CN | disclosed |