⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12269259 | 0.75 | — | — | |
| SCHEMBL12667819 | 0.75 | — | — | |
| 2,4-Dichlorophenol SCHEMBL77936 | 0.72 | — | — | |
| SCHEMBL29630269 | 0.72 | — | — | |
| 2,4-Dichlorophenol SCHEMBL30084868 | 0.72 | — | — | |
| SCHEMBL48338 | 0.72 | — | — | |
| SCHEMBL7094847 | 0.72 | HSD17B10 (0.65) | — | |
| SCHEMBL278316 | 0.72 | ESR2 (0.77) | — | |
| 2,4-Dichlorophenol SCHEMBL30396784 | 0.72 | — | — | |
| SCHEMBL29911026 | 0.72 | ESR2 (0.77) | — |
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-110809577-A | Modulators of adenosine A2A receptor | 雷沃医疗有限公司 | 2020-02-18 | — | — | CN | disclosed |
| WO-2008091681-A2 | THERAMUTEIN MODULATORS | HOUSEY GERARD M (US) | 2008-07-31 | — | — | WO | disclosed |
| WO-2007068905-A1 | 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS | STERIX LIMITED (GB) | 2007-06-21 | — | — | WO | disclosed |