⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9189874 | 1.00 | SLC1A3 (0.30) | — | |
| SCHEMBL8412793 | 0.88 | — | — | |
| SCHEMBL7557425 | 0.88 | ESR1 (0.35) | — | |
| SCHEMBL5481201 | 0.87 | SLC1A3 (0.36) | — | |
| SCHEMBL24719157 | 0.83 | TDP1 (0.42) | — | |
| SCHEMBL8768946 | 0.82 | — | — | |
| SCHEMBL12632024 | 0.74 | FKBP1A (0.33) | — | |
| SCHEMBL8062803 | 0.74 | FKBP1A (0.33) | — | |
| SCHEMBL17019780 | 0.70 | — | — | |
| SCHEMBL8062811 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120157448-A1 | COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES | GENENTECH, INC. | 2012-06-21 | — | — | US | disclosed |
| WO-2012071458-A1 | HETEROCYCLIC INHIBITORS OF BETA - SECRETASE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | ARRAY BIOPHARMA INC. (US) | 2012-05-31 | — | — | WO | disclosed |