⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL547360 | 0.65 | — | — | |
| SCHEMBL19808264 | 0.59 | IDO1 (0.32) | — | |
| SCHEMBL15484301 | 0.57 | — | — | |
| SCHEMBL7160287 | 0.56 | — | — | |
| SCHEMBL22642297 | 0.56 | MAPT (0.32) | — | |
| SCHEMBL13903218 | 0.54 | — | — | |
| SCHEMBL25046462 | 0.54 | KDM4E (0.32) | — | |
| SCHEMBL14256585 | 0.53 | — | — | |
| SCHEMBL21275731 | 0.53 | — | — | |
| SCHEMBL18176763 | 0.53 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4452299-A | POURING FLUVENES AND POLYMERIZABLE MATERIALS INTO MOLDS; CURING | ASHLAND OIL, INC. (US) | 1984-06-05 | — | — | US | disclosed |
| US-4394466-A | AGGREGATES, METAL CARBOXYLATE CATALYST | ASHLAND OIL, INC. (US) | 1983-07-19 | — | — | US | disclosed |
| US-4320218-A | CURABLE FULRENES AND A METAL SALT CATALYST | ASHLAND OIL, INC. (US) | 1982-03-16 | — | — | US | disclosed |