⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4099409 | 0.78 | LMNA (0.45) | — | |
| SCHEMBL3378873 | 0.73 | — | — | |
| SCHEMBL27620863 | 0.72 | — | — | |
| SCHEMBL24616688 | 0.71 | LMNA (0.45) | — | |
| SCHEMBL1666503 | 0.71 | — | — | |
| SCHEMBL335957 | 0.70 | — | — | |
| Phosphoric Acid SCHEMBL11791542 | 0.69 | LMNA (0.42) | — | |
| SCHEMBL10885060 | 0.69 | LMNA (0.36) | — | |
| SCHEMBL9879524 | 0.69 | LMNA (0.43) | — | |
| SCHEMBL11664344 | 0.69 | LMNA (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5861107-A | ESTER INTERCHANGE OF 1,3-PROPANEDIOL COMPOUNDS WITH CARBONIC ACID ESTERS; DISTILLATIVE DEPOLYMERIZATION; CATALYSIS WITH TITANIUM OR ZIRCONIUM COMPOUND; PHOSPHORUS OR SULFUR COMPOUND STABILIZER | BAYER AKTIENGESELLSCHAFT (DE) | 1999-01-19 | — | — | US | disclosed |
| EP-0816354-A1 | Process for preparing and stabilisation of aliphatic six-membered cyclic carbonates | BAYER AG (DE) | 1998-01-07 | — | — | EP | disclosed |