⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2292801 | 0.92 | — | — | |
| SCHEMBL1087931 | 0.92 | — | — | |
| SCHEMBL27446123 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL7189405 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL27528256 | 0.75 | — | — | |
| SCHEMBL8860025 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL27458281 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL27528252 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL8599465 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL27458280 | 0.73 | — | — |
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-0920403-B1 | PROCESS FOR PREPARING CYCLOPENTADIENYL COMPOUNDS | BASELL TECHNOLOGY CO BV (NL) | 2002-01-30 | — | — | EP | disclosed |
| US-6162937-A | Process for preparing cyclopentadienyl compounds | MONTELL TECHNOLOGY COMPANY B.V. (NL) | 2000-12-19 | — | — | US | disclosed |