⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL108338 | 0.85 | LMNA (0.30) | — | |
| SCHEMBL30814242 | 0.85 | LMNA (0.30) | — | |
| SCHEMBL11706748 | 0.82 | MAPT (0.30) | — | |
| SCHEMBL6889675 | 0.79 | — | — | |
| SCHEMBL1352437 | 0.77 | CA1 (0.31) | — | |
| SCHEMBL11704004 | 0.76 | — | — | |
| SCHEMBL23868158 | 0.76 | — | — | |
| Fluoride SCHEMBL3082074 | 0.75 | CA1 (0.30) | — | |
| SCHEMBL27794282 | 0.74 | — | — | |
| SCHEMBL18937149 | 0.73 | CYP1A2 (0.40) | — |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0273489-B1 | PROCESS FOR THE SELECTIVE PREPARATION OF ALKENECARBOXYLIC ACID DERIVATIVES | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-07-24 | — | — | EP | claimed |
| US-5028734-A | Process for the selective preparation of alkenecarboxylic acid derivatives | SHELL OIL COMPANY (US) | 1991-07-02 | — | — | US | claimed |
| US-4879417-A | Process for carbonylation of alkenes to ketones | SHELL OIL COMPANY (US) | 1989-11-07 | — | — | US | claimed |
| EP-0273489-A2 | Process for the selective preparation of alkenecarboxylic acid derivatives | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1988-07-06 | — | — | EP | claimed |
| US-20230167131-A1 | HETEROCYCLIC PAD4 INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2023-06-01 | — | — | US | disclosed |
| US-8664411-B2 | Tetrahydropyranochromene gamma secretase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-03-04 | — | — | US | disclosed |
| US-20110236400-A1 | TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS | SCHERING CORPORATION | 2011-09-29 | — | — | US | disclosed |
| US-20110236400-A1 | TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS | SCHERING CORPORATION | 2011-09-29 | — | — | US | disclosed |
| US-20110054013-A1 | TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2011-03-03 | — | — | US | disclosed |
| US-20110054013-A1 | TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2011-03-03 | — | — | US | disclosed |
| CN-1032351-C | Process for selective preparation of alkenecarboxylic acid derivatives | SHELL INT RESEARCH (NL) | 1996-07-24 | — | — | CN | disclosed |
| EP-0449296-B1 | Palladium catalyzed carboalkoxylation of butadiene | DU PONT (US) | 1994-09-14 | — | — | EP | disclosed |
| US-5026901-A | Producing alkyl pentenoate | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-06-25 | — | — | US | disclosed |
| US-4879417-A | Process for carbonylation of alkenes to ketones | SHELL OIL COMPANY (US) | 1989-11-07 | — | — | US | disclosed |
| US-4868328-A | Selective oxidative carbonylation of conjugated dienes | SHELL OIL COMPANY (US) | 1989-09-19 | — | — | US | disclosed |
| EP-0273489-A2 | Process for the selective preparation of alkenecarboxylic acid derivatives | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1988-07-06 | — | — | EP | disclosed |
| EP-0111949-B1 | PROCESS FOR THE PREPARATION OF CARBOXYLIC ANHYDRIDES | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1986-08-13 | — | — | EP | disclosed |
| US-4536354-A | CARBONYLATION OF ESTER OR ETHER | SHELL OIL COMPANY (US) | 1985-08-20 | — | — | US | disclosed |
| EP-0111949-A1 | Process for the preparation of carboxylic anhydrides | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1984-06-27 | — | — | EP | disclosed |
| EP-0025240-A1 | A process for the preparation of an olefinically unsaturated ether | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1981-03-18 | — | — | EP | disclosed |