⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14886369 | 0.77 | — | — | |
| SCHEMBL800179 | 0.73 | — | — | |
| SCHEMBL15759387 | 0.73 | TDP1 (0.44) | — | |
| SCHEMBL16140641 | 0.73 | ALDH1A1 (0.45) | — | |
| SCHEMBL180158 | 0.71 | — | — | |
| SCHEMBL1895993 | 0.71 | — | — | |
| SCHEMBL1716302 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL16053162 | 0.71 | TSHR (0.39) | — | |
| SCHEMBL6914033 | 0.71 | — | — | |
| SCHEMBL134267 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106397682-A | Preparation method of slump loss resistant polycarboxylate water reducer | 江苏中铁奥莱特新材料股份有限公司 | 2017-02-15 | — | — | CN | claimed |
| EP-2113500-A1 | MAPK/ERK kinase inhibitors | Takeda Pharmaceutical Company Limited (JP) | 2009-11-04 | — | — | EP | disclosed |
| US-7576122-B2 | Ophthalmic compositions for treating ocular hypertension | MERCK & CO. INC. (US) | 2009-08-18 | — | — | US | disclosed |