⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL27650611 | 0.97 | RAPGEF4 (0.37) | — | |
| SCHEMBL7975834 | 0.81 | — | — | |
| Water SCHEMBL27585467 | 0.79 | MEN1 (0.41) | — | |
| SCHEMBL9269096 | 0.77 | — | — | |
| SCHEMBL12269259 | 0.77 | — | — | |
| SCHEMBL29993075 | 0.74 | AHR (0.55) | — | |
| 2,5-Dichlorofluorobenzene SCHEMBL29707637 | 0.74 | — | — | |
| SCHEMBL168149 | 0.74 | — | — | |
| SCHEMBL29415157 | 0.74 | — | — | |
| SCHEMBL10265304 | 0.74 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016135582-A1 | SUBSTITUTED NUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS | PFIZER INC. (US) | 2016-09-01 | — | — | WO | disclosed |
| EP-3029026-A1 | NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME | Dong-A ST Co., Ltd. (KR) | 2016-06-08 | — | — | EP | disclosed |
| EP-2350020-B1 | SPIRO-IMIDAZOLONE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2014-08-13 | — | — | EP | disclosed |
| EP-1900792-A1 | Fluorine phenyl compounds for liquid crystalline mixtures | Merck Patent GmbH (DE) | 2008-03-19 | — | — | EP | disclosed |