⚠ 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 | |
|---|---|---|---|---|
| Butanedione SCHEMBL1867426 | 0.94 | TSHR (1.00) | — | |
| Butanedione SCHEMBL20472 | 0.94 | — | — | |
| Butanedione SCHEMBL7892720 | 0.88 | — | — | |
| Butanedione SCHEMBL3831305 | 0.88 | — | — | |
| Butanedione SCHEMBL2916949 | 0.88 | — | — | |
| Butanedione SCHEMBL3741209 | 0.88 | — | — | |
| Butanedione SCHEMBL15352914 | 0.88 | — | — | |
| Butanedione SCHEMBL3179780 | 0.88 | — | — | |
| Butanedione SCHEMBL3398297 | 0.88 | — | — | |
| Butanedione SCHEMBL1673412 | 0.88 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1013691-B9 | Process for the preparation of polyester resin | COBARR SPA (IT) | 2005-06-15 | — | — | EP | disclosed |
| EP-1013691-B1 | Process for the preparation of polyester resin | COBARR SPA (IT) | 2005-01-26 | — | — | EP | disclosed |
| US-6143837-A | REACTING POLYESTER OBTAINED BY USING IN THE POLYCONDENSATION PHASE A TITANIUM COMPOUND CATALYST WITH A DIANHYDRIDE OF A TETRACARBOXYLIC ACID, AND THEN SUBJECTING THE RESIN TO SOLID STATE POLYCONDENSATION TO INCREASE INTRINSIC VISCOSITY | SINCO RICERCHE, S.P.A. (IT) | 2000-11-07 | — | — | US | disclosed |
| EP-1013691-A2 | Process for the preparation of polyester resin | SINCO RICERCHE S.p.A. (IT) | 2000-06-28 | — | — | EP | disclosed |