⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11734619 | 0.94 | — | — | |
| SCHEMBL11742817 | 0.93 | — | — | |
| SCHEMBL11733641 | 0.93 | — | — | |
| SCHEMBL11737250 | 0.93 | — | — | |
| SCHEMBL11738841 | 0.93 | — | — | |
| SCHEMBL11739480 | 0.84 | — | — | |
| SCHEMBL11734575 | 0.79 | TSHR (0.33) | — | |
| SCHEMBL11731988 | 0.79 | TSHR (0.33) | — | |
| SCHEMBL506092 | 0.79 | — | — | |
| SCHEMBL11740582 | 0.78 | TSHR (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4026911-A | CYANATION, HYDROLYSIS | MILES LABORATORIES, INC. (US) | 1977-05-31 | — | — | US | claimed |
| US-4026911-A | CYANATION, HYDROLYSIS | MILES LABORATORIES, INC. (US) | 1977-05-31 | — | — | US | disclosed |