⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16142754 | 0.81 | — | — | |
| SCHEMBL20298380 | 0.77 | CA1 (0.37) | — | |
| SCHEMBL14867596 | 0.76 | — | — | |
| SCHEMBL10873133 | 0.74 | KDM4E (0.36) | — | |
| SCHEMBL4655182 | 0.74 | KDM4E (0.36) | — | |
| SCHEMBL6764272 | 0.73 | CTRB1 (0.33) | — | |
| SCHEMBL2403213 | 0.73 | CTRB1 (0.33) | — | |
| SCHEMBL7403132 | 0.71 | GAA (0.37) | — | |
| SCHEMBL7801965 | 0.71 | GAA (0.37) | — | |
| SCHEMBL7403136 | 0.71 | GAA (0.37) | — |
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-5576398-A | POLYCARBODIIMIDES GRAFTED WITH CARBOXYLIC ANHYDRIDE AND EPOXY COMPOUND FOR MOLDING MATERIALS | JAPAN SYNTHETIC RUBBER CO., LTD. (JP) | 1996-11-19 | — | — | US | disclosed |