⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3675527 | 0.82 | — | — | |
| SCHEMBL3736283 | 0.82 | — | — | |
| SCHEMBL3677602 | 0.80 | TRPA1 (0.30) | — | |
| SCHEMBL3754462 | 0.80 | TRPA1 (0.30) | — | |
| SCHEMBL10865968 | 0.80 | TRPA1 (0.30) | — | |
| SCHEMBL3769249 | 0.80 | TRPA1 (0.30) | — | |
| SCHEMBL127863 | 0.75 | — | — | |
| SCHEMBL1371509 | 0.73 | — | — | |
| SCHEMBL6156133 | 0.73 | — | — | |
| SCHEMBL5053913 | 0.71 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022263693-A1 | SYNTHESIS OF POLYOLS BY CATALYTIC HYDROGEN TRANSFER ON NI-RANEY CATALYSTS | UNIVERSIDAD REY JUAN CARLOS (ES) | 2022-12-22 | — | — | WO | claimed |
| WO-2012019258-A1 | A METHOD FOR PRODUCING POLYETHYLENE TEREPHTHALATE-BASED RESINS, POLYETHYLENE TEREPHTHALATE-BASED RESINS, AND THE USE OF SAID RESINS | UNIVERSIDADE FEDERAL DO RIO DE JANEIRO (BR) | 2012-02-16 | — | — | WO | claimed |
| EP-0996418-B1 | DERMATOLOGICAL COMPOSITIONS | BOOTS CO PLC (GB) | 2004-05-12 | — | — | EP | claimed |
| WO-2022263693-A1 | SYNTHESIS OF POLYOLS BY CATALYTIC HYDROGEN TRANSFER ON NI-RANEY CATALYSTS | UNIVERSIDAD REY JUAN CARLOS (ES) | 2022-12-22 | — | — | WO | disclosed |
| WO-2022263693-A1 | SYNTHESIS OF POLYOLS BY CATALYTIC HYDROGEN TRANSFER ON NI-RANEY CATALYSTS | UNIVERSIDAD REY JUAN CARLOS (ES) | 2022-12-22 | — | — | WO | disclosed |
| WO-2021105779-A1 | NEW SOLID FORMS OF DAPAGLIFLOZIN | ALPARIS, S.A. DE C.V. (MX) | 2021-06-03 | — | — | WO | disclosed |
| US-7723423-B2 | Gas-barrier resin composition | CRYOVAC, INC. (US) | 2010-05-25 | — | — | US | disclosed |
| EP-1746131-B1 | Gas-barrier resin composition | CRYOVAC INC (US) | 2009-01-21 | — | — | EP | disclosed |
| US-20070093599-A1 | Gas-barrier resin composition | CRYOVAC, INC. (US) | 2007-04-26 | — | — | US | disclosed |
| EP-1746131-A2 | Gas-barrier resin composition | Cryovac, Inc. (US) | 2007-01-24 | — | — | EP | disclosed |