⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15511440 | 0.83 | CYP3A4 (0.33) | — | |
| SCHEMBL27444902 | 0.69 | — | — | |
| SCHEMBL6697581 | 0.67 | — | — | |
| SCHEMBL28497162 | 0.67 | — | — | |
| SCHEMBL13392811 | 0.67 | — | — | |
| SCHEMBL36606 | 0.65 | TSHR (0.39) | — | |
| SCHEMBL9343879 | 0.64 | — | — | |
| SCHEMBL9717742 | 0.63 | ALDH1A1 (0.39) | — | |
| SCHEMBL11752475 | 0.63 | ALDH1A1 (0.39) | — | |
| SCHEMBL16397971 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2266927-B1 | Polymer for ultra-high strength concrete admixture and method for preparing the same | SILKROAD C & T CO LTD (KR) | 2013-10-02 | — | — | EP | disclosed |
| EP-2266927-A1 | Polymer for ultra-high strength concrete admixture and method for preparing the same | Silkroad C&T Co., LTD (KR) | 2010-12-29 | — | — | EP | disclosed |