⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1128125 | 0.84 | — | — | |
| SCHEMBL10797352 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL20425030 | 0.76 | — | — | |
| SCHEMBL6050677 | 0.69 | CYP2D6 (0.38) | — | |
| SCHEMBL5413667 | 0.69 | CYP2D6 (0.38) | — | |
| SCHEMBL1956399 | 0.69 | — | — | |
| SCHEMBL9707 | 0.69 | — | — | |
| SCHEMBL24053161 | 0.69 | CYP2D6 (0.33) | — | |
| SCHEMBL29019340 | 0.67 | — | — | |
| SCHEMBL23746654 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5981424-A | CATALYST CONSISTS OF A SUPPORT, TRANSITION METAL AND ATLEAST ONE MULTIDENTATE CHELATING, BINUCLEATING LIGAND COMPRISING HETEROATOM SITES CONTAINING NITROGEN, OXYGEN, SULFUR, PHOSPHORUS, ARSENIC ATOMS, ATLEAST ONE AMIDO OR IMINO GROUP | SUNOCO, INC. (R&M) (US) | 1999-11-09 | — | — | US | disclosed |
| US-5952532-A | CONTACTING AROMATIC FEEDSTOCK WITH OXIDANT COMPRISING MOLECULAR OXYGEN IN PRESENCE OF A CATALYST COMPRISING A SUPPORT, TRANSITIONAL METALS AND A MULTIDENTATE CHELATING BINUCLEATING LIGAND AS PROMOTER | SUNOCO, INC. (US) | 1999-09-14 | — | — | US | disclosed |
| US-5861536-A | USING A CATALYST COMPRISING A SUPPORT, TRANSITION METAL; AND A MONO- OR BINUCLEATING LIGAND COMPRISING AT LEAST ONE NITRO OR NITROSO GROUP | SUN COMPANY, INC. (R&M) (US) | 1999-01-19 | — | — | US | disclosed |