⚠ 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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL8667363 | 0.98 | — | — | |
| Methyl Alcohol SCHEMBL2353132 | 0.87 | CTSD (0.32) | — | |
| SCHEMBL140407 | 0.87 | CTSD (0.35) | — | |
| SCHEMBL9190135 | 0.86 | — | — | |
| Methyl Alcohol SCHEMBL9190282 | 0.85 | CTSD (0.31) | — | |
| Bromide SCHEMBL1539651 | 0.85 | CTSD (0.33) | — | |
| Hydrochloric Acid SCHEMBL812503 | 0.85 | CTSD (0.33) | — | |
| Hydrochloric Acid SCHEMBL138585 | 0.85 | CTSD (0.33) | — | |
| Hydrochloric Acid SCHEMBL3667602 | 0.85 | CTSD (0.33) | — | |
| Iodide SCHEMBL27933185 | 0.85 | CTSD (0.33) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0640090-B2 | PROCESS FOR PREPARATION OF MONOCYCLOPENTADIENYL METAL COMPLEX COMPOUNDS AND METHOD OF USE | DOW CHEMICAL CO (US) | 2007-11-28 | — | — | EP | disclosed |
| EP-0640090-B1 | PROCESS FOR PREPARATION OF MONOCYCLOPENTADIENYL METAL COMPLEX COMPOUNDS AND METHOD OF USE | DOW CHEMICAL CO (US) | 1998-09-02 | — | — | EP | disclosed |
| US-5789638-A | Hydrogenation of unsaturated polymers using monocyclopentadienyl group IV metal catalysts | THE DOW CHEMICAL COMPANY (US) | 1998-08-04 | — | — | US | disclosed |
| WO-1996018655-A1 | HYDROGENATION OF UNSATURATED POLYMERS USING MONOCYCLOPENTADIENYL GROUP IV METAL CATALYSTS | THE DOW CHEMICAL COMPANY (US) | 1996-06-20 | — | — | WO | disclosed |
| US-5399635-A | Process for preparation of monocyclopentadienyl metal complex compounds and method of use | THE DOW CHEMICAL COMPANY (US) | 1995-03-21 | — | — | US | disclosed |
| EP-0640090-A1 | PROCESS FOR PREPARATION OF MONOCYCLOPENTADIENYL METAL COMPLEX COMPOUNDS AND METHOD OF USE | THE DOW CHEMICAL COMPANY (US) | 1995-03-01 | — | — | EP | disclosed |
| US-5350723-A | Process for preparation of monocyclopentadienyl metal complex compounds and method of use | THE DOW CHEMICAL COMPANY (US) | 1994-09-27 | — | — | US | disclosed |
| WO-1993023412-A1 | PROCESS FOR PREPARATION OF MONOCYCLOPENTADIENYL METAL COMPLEX COMPOUNDS AND METHOD OF USE | THE DOW CHEMICAL COMPANY (US) | 1993-11-25 | — | — | WO | disclosed |