⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL66536 | 0.97 | — | — | |
| SCHEMBL846523 | 0.97 | SMN1; SMN2 (0.52) | — | |
| Hydrochloric Acid SCHEMBL6942925 | 0.93 | — | — | |
| SCHEMBL8655368 | 0.93 | — | — | |
| SCHEMBL2204588 | 0.93 | — | — | |
| SCHEMBL5820792 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL4405501 | 0.93 | — | — | |
| SCHEMBL22401459 | 0.93 | — | — | |
| SCHEMBL22832217 | 0.93 | — | — | |
| SCHEMBL2896229 | 0.93 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0571044-B1 | Recovery of carboxylate ester reaction products | SHELL INT RESEARCH (NL) | 1997-04-09 | — | — | EP | disclosed |
| EP-0571044-A1 | Recovery of carboxylate ester reaction products | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1993-11-24 | — | — | EP | disclosed |
| EP-0017441-B2 | Preparation of esters | CHEM SYSTEMS, Inc. (US) | 1987-10-28 | — | — | EP | disclosed |
| EP-0031205-B1 | CARBONYLATION OF ETHYLENE OR PROPYLENE | CHEM SYSTEMS, Inc. (US) | 1984-10-17 | — | — | EP | disclosed |
| EP-0017441-B1 | Preparation of esters | CHEM SYSTEMS, Inc. (US) | 1983-08-03 | — | — | EP | disclosed |
| US-RE31010-E | CARBONYLATION AND ESTERIFICATION OF OLEFIN | CHEM SYSTEMS INC. (US) | 1982-08-10 | — | — | US | disclosed |
| US-4311851-A | CARBONYLATION OF ETHYLENE OR PROPYLENE | CHEM SYSTEMS INC. (US) | 1982-01-19 | — | — | US | disclosed |
| EP-0031205-A2 | Carbonylation of ethylene or propylene | CHEM SYSTEMS, Inc. (US) | 1981-07-01 | — | — | EP | disclosed |
| US-4262138-A | REGENERATION AND REUSE OF CATALYST | CHEM SYSTEMS INC. (US) | 1981-04-14 | — | — | US | disclosed |
| US-4256913-A | Preparation of carboxylic acids using a BF3 catalyst complex | CHEM SYSTEMS INC. (US) | 1981-03-17 | — | — | US | disclosed |
| EP-0017441-A1 | Preparation of esters | CHEM SYSTEMS, Inc. (US) | 1980-10-15 | — | — | EP | disclosed |