⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5351123 | 0.86 | MYC (0.31) | — | |
| SCHEMBL2237361 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL2236809 | 0.85 | — | — | |
| SCHEMBL5345604 | 0.85 | — | — | |
| SCHEMBL7046923 | 0.81 | GABRA1 (0.32) | — | |
| SCHEMBL7048955 | 0.81 | GABRA1 (0.32) | — | |
| SCHEMBL8402024 | 0.81 | — | — | |
| SCHEMBL5788443 | 0.81 | FAAH (0.32) | — | |
| SCHEMBL5361252 | 0.81 | — | — | |
| SCHEMBL7805721 | 0.80 | CYP1A2 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1058694-B1 | Catalyst system, method for its production and its use for the polymerisation of olefins | BASELL POLYOLEFINE GMBH (DE) | 2003-04-09 | — | — | EP | claimed |
| US-6177376-B1 | REACTING METALLOCENE WITH ORGANOLITHIUM COMPOUND AND GRIGNARD COMPOUND, ACTIVATION, CONTACTING WITH SUPPORT | TARGOR GMBH (DE) | 2001-01-23 | — | — | US | disclosed |