⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16187 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL28500251 | 0.94 | — | — | |
| Methyl Alcohol SCHEMBL27634996 | 0.94 | — | — | |
| Water SCHEMBL5155480 | 0.94 | — | — | |
| Water SCHEMBL27780951 | 0.92 | — | — | |
| Water SCHEMBL27592658 | 0.92 | — | — | |
| Ethyl Chloride SCHEMBL28032710 | 0.90 | HCAR2 (0.48) | — | |
| Trimethylammonium SCHEMBL10749688 | 0.87 | HCAR2 (0.46) | — | |
| P-Xylene SCHEMBL27685712 | 0.84 | MAPT (0.51) | — | |
| SCHEMBL2787103 | 0.82 | LMNA (0.50) | — |
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-110997663-A | Benzofuran ureas or carbamates and heteroaromatic analogs thereof for use in therapy | 欧洲分子生物学实验室 | 2020-04-10 | — | — | CN | disclosed |
| CN-110248932-A | Pyrimidine tricycloalkenone derivatives for ROR γ inhibition and other uses | 里亚塔医药公司 | 2019-09-17 | — | — | CN | disclosed |