⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL248626 | 0.91 | — | — | |
| SCHEMBL9145372 | 0.89 | — | — | |
| SCHEMBL5604028 | 0.89 | — | — | |
| SCHEMBL9144681 | 0.89 | — | — | |
| SCHEMBL6284785 | 0.89 | NFKB1 (0.41) | — | |
| SCHEMBL6053822 | 0.84 | NOS3 (0.33) | — | |
| SCHEMBL8770473 | 0.79 | — | — | |
| SCHEMBL6053807 | 0.79 | — | — | |
| SCHEMBL9145330 | 0.78 | — | — | |
| SCHEMBL8191279 | 0.78 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5824618-A | TITANIUM COMPOUND, GROUP 1-3 COMPOUND, ORGANOCYCLIC COMPOUND | NIPPON OIL CO., LTD. (JP) | 1998-10-20 | — | — | US | claimed |
| US-5824618-A | TITANIUM COMPOUND, GROUP 1-3 COMPOUND, ORGANOCYCLIC COMPOUND | NIPPON OIL CO., LTD. (JP) | 1998-10-20 | — | — | US | disclosed |