⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7947220 | 0.90 | — | — | |
| SCHEMBL7947216 | 0.79 | IDO1 (0.33) | — | |
| SCHEMBL7949898 | 0.77 | — | — | |
| SCHEMBL7944940 | 0.73 | IDO1 (0.30) | — | |
| SCHEMBL7944957 | 0.71 | IDO1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL6457215 | 0.70 | HTR6 (0.33) | — | |
| SCHEMBL7188578 | 0.70 | HTR6 (0.35) | — | |
| SCHEMBL7949914 | 0.70 | IDO1 (0.33) | — | |
| SCHEMBL7949935 | 0.70 | IDO1 (0.32) | — | |
| SCHEMBL7949999 | 0.68 | LPAR1 (0.32) | — |
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-6262286-B1 | REACTING AROMATIC TRANSITION METAL COMPLEXES WITH ALKALI OR ALKALI METAL CYCLOPENTADIENYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2001-07-17 | — | — | US | disclosed |