⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7703618 | 1.00 | — | — | |
| SCHEMBL12733636 | 1.00 | — | — | |
| SCHEMBL7703621 | 1.00 | — | — | |
| SCHEMBL13660720 | 0.75 | — | — | |
| SCHEMBL209944 | 0.75 | — | — | |
| SCHEMBL23284422 | 0.75 | — | — | |
| SCHEMBL196429 | 0.75 | — | — | |
| SCHEMBL209942 | 0.75 | — | — | |
| SCHEMBL8660704 | 0.75 | — | — | |
| SCHEMBL8660706 | 0.75 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6362343-B1 | REACTING WATER MISCIBLE OLEFIN IN WATER WITH ACYLUREA IMIDAZOLE COMPOUND | EASTMAN CHEMICAL COMPANY | 2002-03-26 | — | — | US | claimed |
| US-6162924-A | REACTING 1,3-DIHALO-5,5-DIALKYLHYDANTOIN IN WATER FOR HIGHLY SELECTIVE CONVERSION OF WATER MISCIBLE OLEFINS, SUCH AS 2,5-DIHYDROFURAN TO TRANS-3-BROMO-4-HYDROXYTETRAHYDROFURAN, USEFUL AS CHEMICAL INTERMEDIATE TO 3,4-EPOXYTETRAHYDROFURAN | EASTMAN CHEMICAL COMPANY (US) | 2000-12-19 | — | — | US | claimed |
| US-6362343-B1 | REACTING WATER MISCIBLE OLEFIN IN WATER WITH ACYLUREA IMIDAZOLE COMPOUND | EASTMAN CHEMICAL COMPANY | 2002-03-26 | — | — | US | disclosed |
| US-6162924-A | REACTING 1,3-DIHALO-5,5-DIALKYLHYDANTOIN IN WATER FOR HIGHLY SELECTIVE CONVERSION OF WATER MISCIBLE OLEFINS, SUCH AS 2,5-DIHYDROFURAN TO TRANS-3-BROMO-4-HYDROXYTETRAHYDROFURAN, USEFUL AS CHEMICAL INTERMEDIATE TO 3,4-EPOXYTETRAHYDROFURAN | EASTMAN CHEMICAL COMPANY (US) | 2000-12-19 | — | — | US | disclosed |
| US-4806637-A | 6-(Hydroxyethyl)-2-(heterocyclylthio)-penem-3-carboxylates | SCHERING CORPORATION (US) | 1989-02-21 | — | — | US | disclosed |
| EP-0238285-A2 | 2-Heterocyclylthio penems | SCHERING CORPORATION (US) | 1987-09-23 | — | — | EP | disclosed |