⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3393315 | 1.00 | — | — | |
| SCHEMBL13893216 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL30361064 | 0.96 | — | — | |
| SCHEMBL13936991 | 0.78 | — | — | |
| SCHEMBL4253176 | 0.78 | — | — | |
| SCHEMBL6544966 | 0.75 | — | — | |
| SCHEMBL28807232 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL31375438 | 0.75 | — | — | |
| SCHEMBL6545601 | 0.75 | — | — | |
| SCHEMBL24428907 | 0.74 | TSHR (0.35) | — |
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-20160139131-A1 | ANTIBODIES RECOGNIZING A CARBOHYDRATE CONTAINING EPITOPE ON CD-43 AND CEA EXPRESSED ON CANCER CELLS AND METHODS USING SAME | BIOALLIANCE CV (NL) | 2016-05-19 | — | — | US | disclosed |