⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15850758 | 0.77 | HSPA5 (0.40) | — | |
| SCHEMBL8465961 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL809287 | 0.73 | TAAR1 (0.46) | — | |
| SCHEMBL5251791 | 0.73 | GABRA1 (0.41) | — | |
| SCHEMBL27948009 | 0.73 | PNMT (0.44) | — | |
| SCHEMBL7645080 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL8743654 | 0.73 | — | — | |
| SCHEMBL187563 | 0.70 | IDO1 (0.52) | — | |
| SCHEMBL10319675 | 0.70 | ADRA2B (0.36) | — | |
| SCHEMBL3002500 | 0.69 | TSHR (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0750625-B1 | PREPARATION OF MONOCYCLOPENTADIENYL METAL COMPLEXES BY NUCLEOPHILIC SUBSTITUTION OF BIS(CYCLOPENTADIENYL) METAL COMPLEXES | DOW CHEMICAL CO (US) | 1999-02-03 | — | — | EP | disclosed |
| US-5659054-A | Preparation of monocyclopentadienyl metal complexes by nucleophilic substitution of bis(cyclopentadienyl) metal complexes | THE DOW CHEMICAL COMPANY (US) | 1997-08-19 | — | — | US | disclosed |
| US-5504224-A | Preparation of monocyclopentadienyl metal complexes by nucleophilic substitution of bis(cyclopentadienyl) metal complexes | THE DOW CHEMICAL COMPANY (US) | 1996-04-02 | — | — | US | disclosed |