⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6685568 | 0.87 | ALDH1A1 (0.32) | — | |
| SCHEMBL7218532 | 0.83 | — | — | |
| SCHEMBL11360945 | 0.80 | DYRK3 (0.32) | — | |
| SCHEMBL4588217 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL17361360 | 0.76 | — | — | |
| SCHEMBL6686595 | 0.75 | CYP1A2 (0.31) | — | |
| SCHEMBL3346700 | 0.74 | — | — | |
| SCHEMBL7812654 | 0.74 | — | — | |
| SCHEMBL1185934 | 0.74 | — | — | |
| SCHEMBL869315 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003060192-A1 | NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT | UNIVERSITY OF DAYTON (US) | 2003-07-24 | — | — | WO | disclosed |