⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27100012 | 0.95 | — | — | |
| SCHEMBL27100010 | 0.94 | — | — | |
| SCHEMBL24222858 | 0.85 | CNR1 (0.32) | — | |
| SCHEMBL12796175 | 0.80 | CNR1 (0.31) | — | |
| SCHEMBL20623235 | 0.78 | NPC1 (0.33) | — | |
| SCHEMBL25908758 | 0.74 | RXRA (0.40) | — | |
| SCHEMBL27100003 | 0.74 | — | — | |
| SCHEMBL14049040 | 0.74 | CNR2 (0.32) | — | |
| SCHEMBL21527563 | 0.73 | PDK2 (0.35) | — | |
| SCHEMBL15177358 | 0.72 | PDK2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11912803-B2 | Conjugated polyelectrolyte-grafted membrane and method for manufacturing the same | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2024-02-27 | — | — | US | disclosed |