⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5155931 | 0.99 | — | — | |
| SCHEMBL7048429 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL8662219 | 0.85 | — | — | |
| SCHEMBL2232311 | 0.83 | GABRA1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL2232224 | 0.82 | GABRA1 (0.30) | — | |
| SCHEMBL8678962 | 0.80 | FABP3 (0.31) | — | |
| SCHEMBL7030163 | 0.78 | FABP3 (0.32) | — | |
| SCHEMBL2539369 | 0.76 | — | — | |
| SCHEMBL7800520 | 0.76 | GABRA1 (0.33) | — | |
| SCHEMBL8823400 | 0.76 | — | — |
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-5929264-A | Process for the preparation of substituted indenes and their use as ligand systems for metallocene catalysts | TARGOR GMBH (DE) | 1999-07-27 | — | — | US | disclosed |