⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10401244 | 0.85 | — | — | |
| SCHEMBL9015610 | 0.81 | GPR84 (0.47) | — | |
| SCHEMBL9015625 | 0.81 | GPR84 (0.47) | — | |
| SCHEMBL6005488 | 0.81 | GPR84 (0.47) | — | |
| SCHEMBL7704630 | 0.78 | — | — | |
| SCHEMBL2976825 | 0.76 | — | — | |
| SCHEMBL11597205 | 0.76 | — | — | |
| SCHEMBL9557731 | 0.76 | — | — | |
| SCHEMBL204061 | 0.76 | — | — | |
| SCHEMBL2977541 | 0.76 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6361872-B1 | CORROSION RESISTANCE FOR METAL SURFACES WITH MERCAPTO COMPOUNDS AND CURING AGENTS | METAL COATINGS INTERNATIONAL INC. | 2002-03-26 | — | — | US | disclosed |
| WO-1999060187-A1 | METAL SURFACE TREATMENT AGENTS, METHODS OF TREATING METAL SURFACES AND PRE-COATED STEEL SHEETS | DACRAL S.A. (FR) | 1999-11-25 | — | — | WO | disclosed |
| US-4286089-A | BACTERICIDES | SMITHKLINE CORPORATION (US) | 1981-08-25 | — | — | US | disclosed |
| US-4220644-A | BACTERICIDES | SMITHKLINE CORPORATION (US) | 1980-09-02 | — | — | US | disclosed |
| US-4202983-A | 11-(Lower-alkoxy- and lower-alkylthio-3-oxo-lower-alkyl)-hexahydro-2,6-m ethano-benzazocines | STERLING DRUG INC. (US) | 1980-05-13 | — | — | US | disclosed |