⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL468482 | 0.69 | — | — | |
| Methacrylic Acid SCHEMBL8495785 | 0.69 | TDP1 (0.42) | — | |
| SCHEMBL3117445 | 0.69 | — | — | |
| SCHEMBL11199307 | 0.69 | — | — | |
| SCHEMBL4189327 | 0.69 | — | — | |
| SCHEMBL141617 | 0.67 | — | — | |
| SCHEMBL936359 | 0.67 | — | — | |
| SCHEMBL27756452 | 0.67 | — | — | |
| SCHEMBL3397969 | 0.67 | — | — | |
| SCHEMBL1252799 | 0.65 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4806693-A | REACTING ACETYLENICALLY UNSATURATED COMPOUNDS WITH CARBON MONOXIDE IN PRESENCE OF CATALYST | SHELL OIL COMPANY (US) | 1989-02-21 | — | — | US | claimed |
| EP-0218284-A1 | Process for the preparation of unsaturated ketones | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1987-04-15 | — | — | EP | claimed |
| EP-0218284-B1 | PROCESS FOR THE PREPARATION OF UNSATURATED KETONES | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-08-21 | — | — | EP | disclosed |
| EP-0218283-B1 | PROCESS FOR THE PREPARATION OF ESTERS OF ALPHA-ETHYLENICALLY UNSATURATED ALCOHOLS AND ALPHA-ETHYLENICALLY UNSATURATED CARBOXYLIC ACIDS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-11-08 | — | — | EP | disclosed |
| US-4831187-A | Process for the preparation of esters of alpha-ethylenically unsaturated alcohols and alpha-ethylenically unsaturated carboxylic acids | SHELL OIL COMPANY (US) | 1989-05-16 | — | — | US | disclosed |
| US-4806693-A | REACTING ACETYLENICALLY UNSATURATED COMPOUNDS WITH CARBON MONOXIDE IN PRESENCE OF CATALYST | SHELL OIL COMPANY (US) | 1989-02-21 | — | — | US | disclosed |
| US-4727195-A | FROM AN UNSATURATED COMPOUND AND CARBON MONOXIDE USING A CATALYST SYSTEM OF PALLADIUM ALKANOATE, ORGANIC PHOSPHINE AND PROTONIC ACID | SHELL OIL COMPANY (US) | 1988-02-23 | — | — | US | disclosed |
| EP-0218284-A1 | Process for the preparation of unsaturated ketones | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1987-04-15 | — | — | EP | disclosed |
| EP-0218283-A1 | Process for the preparation of esters of alpha-ethylenically unsaturated alcohols and alpha-ethylenically unsaturated carboxylic acids | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1987-04-15 | — | — | EP | disclosed |