⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28900998 | 0.82 | — | — | |
| SCHEMBL2911463 | 0.80 | DPP4 (0.31) | — | |
| SCHEMBL5459663 | 0.75 | GRIN2D (0.32) | — | |
| SCHEMBL2870977 | 0.73 | HCAR2 (0.33) | — | |
| SCHEMBL28756954 | 0.73 | CYP1A2 (0.31) | — | |
| SCHEMBL2911465 | 0.73 | TKT (0.31) | — | |
| SCHEMBL2491037 | 0.69 | — | — | |
| SCHEMBL28441783 | 0.68 | DPP4 (0.40) | — | |
| SCHEMBL28900264 | 0.68 | DPP4 (0.40) | — | |
| SCHEMBL5467268 | 0.67 | TAAR1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1092788-B1 | Corrosion inhibiting compositions | BRAD CHEM TECHNOLOGY LTD (GB) | 2010-08-11 | — | — | EP | disclosed |
| US-6984340-B1 | Corrosion inhibiting formulations | BRAD-CHEM TECHNOLOGY LIMTIED (GB) | 2006-01-10 | — | — | US | disclosed |
| EP-1092788-A2 | Corrosion inhibiting compositions | Brad-Chem Technology Ltd. (GB) | 2001-04-18 | — | — | EP | disclosed |