⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL300801 | 0.94 | IDO1 (0.31) | — | |
| SCHEMBL7944187 | 0.89 | — | — | |
| SCHEMBL11272288 | 0.89 | — | — | |
| SCHEMBL224865 | 0.74 | — | — | |
| SCHEMBL17513045 | 0.74 | — | — | |
| SCHEMBL8775933 | 0.65 | — | — | |
| SCHEMBL28638627 | 0.60 | APP (0.31) | — | |
| SCHEMBL2751602 | 0.60 | ALDH1A1 (0.73) | — | |
| Naphthalene SCHEMBL1272176 | 0.59 | IDO1 (0.31) | — | |
| SCHEMBL806040 | 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-6326445-B1 | REACTION PRODUCT CONTAINING FULVENE COMPOUND | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION | 2001-12-04 | — | — | US | disclosed |
| US-6054405-A | CONTAINING A FLUVENE COMPOUND | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2000-04-25 | — | — | US | disclosed |
| EP-0927728-A1 | Catalyst composition for the polymerization of olefins | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1999-07-07 | — | — | EP | disclosed |