⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL20972460 | 0.60 | — | — | |
| SCHEMBL14178721 | 0.60 | CYP19A1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL20972473 | 0.60 | — | — | |
| SCHEMBL20972484 | 0.59 | — | — | |
| SCHEMBL14960561 | 0.58 | — | — | |
| SCHEMBL17128309 | 0.57 | — | — | |
| SCHEMBL12707388 | 0.55 | ALDH1A1 (0.31) | — | |
| SCHEMBL22180971 | 0.55 | — | — | |
| SCHEMBL13551395 | 0.54 | — | — | |
| SCHEMBL27271922 | 0.54 | — | — |
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-20230219942-A1 | COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS | RELIVE THERAPEUTICS INC. (CA) | 2023-07-13 | — | — | US | disclosed |