⚠ 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL3219455 | 1.00 | ACHE (0.92) | — | |
| SCHEMBL12344943 | 0.96 | ACHE (1.00) | — | |
| Toluene SCHEMBL1 | 0.96 | — | — | |
| Toluene SCHEMBL175861 | 0.96 | ACHE (1.00) | — | |
| Toluene SCHEMBL10976206 | 0.96 | ACHE (1.00) | — | |
| Toluene SCHEMBL4429042 | 0.96 | ACHE (1.00) | — | |
| Toluene SCHEMBL8433895 | 0.96 | ACHE (1.00) | — | |
| SCHEMBL12344964 | 0.96 | ACHE (1.00) | — | |
| Toluene SCHEMBL5665166 | 0.96 | ACHE (1.00) | — | |
| Toluene SCHEMBL11213676 | 0.96 | ACHE (1.00) | — |
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-11260381-B2 | Process for oligomerization | DOW GLOBAL TECHNOLOGIES LLC (US) | 2022-03-01 | — | — | US | disclosed |
| CN-107428862-A | Carbon monoxide-olefin polymeric and prepare the method for polyolefin using it | LG化学株式会社 | 2017-12-01 | — | — | CN | disclosed |
| CN-1098282-C | Supported chromium-containing catalyst for ethylene polymerization and preparation method thereof | QILU PETROCHEMICAL CO CHINA (CN) | 2003-01-08 | — | — | CN | disclosed |
| CN-1175590-A | Supported chromium-containing catalyst for ethylene polymerization and preparation method thereof | QILU PETRO CHEM CO SINOPEC (CN) | 1998-03-11 | — | — | CN | disclosed |
| US-4579720-A | USING HYDROXYMETHANE DIPHOSPHONIC ACID | PLAINS CHEMICAL DEVELOPMENT CO. (US) | 1986-04-01 | — | — | US | disclosed |
| US-4440646-A | HYDROXY OR HALOALKANEPHOSPHONATES | PLAINS CHEMICAL DEVELOPMENT CO. (US) | 1984-04-03 | — | — | US | disclosed |
| US-4188234-A | STABILIZATION OF VINYL POLYMERS, POLYPHOSPHONIC ACID CHELATING AGENT, PROTECTIVE COATINGS | PLAINS CHEMICAL DEVELOPMENT CO. (US) | 1980-02-12 | — | — | US | disclosed |
| US-4116990-A | OF NON-ALKALI METAL IONS WITH PHOSPHORUS CHELATING COMPOUND | PLAINS CHEMICAL DEVELOPMENT CO. (US) | 1978-09-26 | — | — | US | disclosed |
| US-4020091-A | TIN SALTS OF POLYPHOSPHONIC ACIDS | PLAINS CHEMICAL DEVELOPMENT CO. (US) | 1977-04-26 | — | — | US | disclosed |