⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27614831 | 0.73 | — | — | |
| SCHEMBL27614881 | 0.63 | MAPT (0.35) | — | |
| SCHEMBL24993594 | 0.63 | ALDH1A1 (0.36) | — | |
| SCHEMBL20837264 | 0.63 | ACHE (0.42) | — | |
| SCHEMBL20837057 | 0.62 | LOX (0.37) | — | |
| SCHEMBL20836947 | 0.62 | ESR1 (0.35) | — | |
| SCHEMBL20837062 | 0.62 | IMPDH2 (0.40) | — | |
| SCHEMBL24529354 | 0.62 | NQO2 (0.46) | — | |
| SCHEMBL26502145 | 0.61 | — | — | |
| SCHEMBL20837181 | 0.61 | DYRK1A (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1727353-A | Titanium metallocene photoinitiator with parallel structure, synthetic catalyst and photosensitive composition | HUATAI CHEMICAL CO LTD CHANGZH (CN) | 2006-02-01 | — | — | CN | claimed |
| CN-1727353-A | Titanium metallocene photoinitiator with parallel structure, synthetic catalyst and photosensitive composition | HUATAI CHEMICAL CO LTD CHANGZH (CN) | 2006-02-01 | — | — | CN | disclosed |