⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL496859 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL10636423 | 0.98 | TSHR (0.39) | — | |
| SCHEMBL14125402 | 0.95 | TSHR (0.50) | — | |
| SCHEMBL2638214 | 0.93 | TSHR (0.46) | — | |
| SCHEMBL5165814 | 0.88 | TSHR (0.37) | — | |
| SCHEMBL8349339 | 0.85 | TSHR (0.39) | — | |
| SCHEMBL9718442 | 0.76 | TSHR (0.50) | — | |
| SCHEMBL3661549 | 0.75 | ALDH1A1 (0.42) | — | |
| SCHEMBL934308 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL16594602 | 0.75 | CA1 (0.32) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7169759-B1 | Tetrapeptide inhibitors of β-secretase | ELAN PHARMACEUTICALS, INC. (US) | 2007-01-30 | — | — | US | claimed |
| EP-1192177-A1 | STATINE-DERIVED TETRAPEPTIDE INHIBITORS OF BETA-SECRETASE | Elan Pharmaceuticals, Inc. (US) | 2002-04-03 | — | — | EP | claimed |
| WO-2000077030-A1 | STATINE-DERIVED TETRAPEPTIDE INHIBITORS OF BETA-SECRETASE | ELAN PHARMACEUTICALS, INC. (US) | 2000-12-21 | — | — | WO | claimed |
| EP-0950641-A2 | Tablets and method for preventing or diminishing formation of deposits in water collection systems for construction works | Wegmüller, Marcel Christian (CH) | 1999-10-20 | — | — | EP | claimed |
| US-7977379-B2 | Angiogenesis inhibitor; administering anhydrous glutamic acidor pyroglutamic acid | BHN CO., LTD. (JP) | 2011-07-12 | — | — | US | disclosed |
| US-7977379-B2 | Angiogenesis inhibitor; administering anhydrous glutamic acidor pyroglutamic acid | BHN CO., LTD. (JP) | 2011-07-12 | — | — | US | disclosed |
| EP-0950641-A2 | Tablets and method for preventing or diminishing formation of deposits in water collection systems for construction works | Wegmüller, Marcel Christian (CH) | 1999-10-20 | — | — | EP | disclosed |