⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17233456 | 1.00 | — | — | |
| SCHEMBL17591298 | 1.00 | — | — | |
| SCHEMBL27926124 | 0.79 | — | — | |
| SCHEMBL12499899 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL11760021 | 0.75 | GRIK1 (0.32) | — | |
| SCHEMBL27861894 | 0.73 | TSHR (0.31) | — | |
| SCHEMBL28738400 | 0.73 | GRIK1 (0.41) | — | |
| SCHEMBL9517613 | 0.71 | GRIK1 (0.30) | — | |
| SCHEMBL5598165 | 0.69 | — | — | |
| SCHEMBL800569 | 0.69 | GRIK1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102906053-B | Production of propylene via simultaneous dehydration and skeletal isomerisation of isobutanol on acid catalysts followed by metathesis | TOTAL PETROCHEMICALS RES FELUY | 2015-06-03 | — | — | CN | disclosed |
| CN-103153919-B | Process to make olefins from isobutanol | TOTAL PETROCHEMICALS RES FELUY | 2015-05-13 | — | — | CN | disclosed |
| CN-103153920-B | Process for making olefins from isobutanol | TOTAL PETROCHEMICALS RES FELUY | 2015-04-15 | — | — | CN | disclosed |
| CN-103153919-A | Process to make olefins from isobutanol | TOTAL PETROCHEMICALS RES FELUY | 2013-06-12 | — | — | CN | disclosed |
| CN-103153920-A | Process for making olefins from isobutanol | TOTAL PETROCHEMICALS RES FELUY | 2013-06-12 | — | — | CN | disclosed |
| CN-103140458-A | Combined process to make olefins from isobutanol | TOTAL RES & TECHNOLOGY FELUY | 2013-06-05 | — | — | CN | disclosed |
| CN-102906053-A | Production of propylene via simultaneous dehydration and skeletal isomerisation of isobutanol on acid catalysts followed by metathesis | TOTAL PETROCHEMICALS RES FELUY | 2013-01-30 | — | — | CN | disclosed |
| CN-1007345-B | Produce Virahol and have the method for the tertiary alcohols of 4 to 5 carbon atoms | TEXACO AG (DE) | 1990-03-28 | — | — | CN | disclosed |
| CN-87105641-A | Produce Virahol and have the method for the tertiary alcohols of 4 to 5 carbon atoms | — | 1988-03-30 | — | — | CN | disclosed |