⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15267206 | 0.72 | ADRB2 (0.39) | — | |
| SCHEMBL16606088 | 0.69 | — | — | |
| SCHEMBL16587585 | 0.69 | NOD1 (0.32) | — | |
| SCHEMBL21829031 | 0.69 | — | — | |
| SCHEMBL16508308 | 0.66 | — | — | |
| SCHEMBL27404377 | 0.66 | — | — | |
| SCHEMBL4083561 | 0.66 | — | — | |
| SCHEMBL13554462 | 0.65 | — | — | |
| SCHEMBL16587607 | 0.65 | TSHR (0.40) | — | |
| SCHEMBL21352282 | 0.64 | CA12 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020251953-A1 | STREPTOGRAMIN COMPOSITIONS AND THE USE THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2020-12-17 | — | — | WO | disclosed |