⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10321911 | 0.65 | BACE1 (0.58) | — | |
| SCHEMBL28797198 | 0.63 | BACE1 (0.40) | — | |
| SCHEMBL10322141 | 0.60 | BACE1 (0.41) | — | |
| SCHEMBL16627178 | 0.58 | PIK3CD (0.32) | — | |
| SCHEMBL18561497 | 0.52 | — | — | |
| SCHEMBL21399188 | 0.52 | NOS3 (0.42) | — | |
| SCHEMBL29960628 | 0.51 | — | — | |
| SCHEMBL7353278 | 0.51 | — | — | |
| SCHEMBL30785387 | 0.51 | — | — | |
| SCHEMBL195850 | 0.51 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103403001-A | Novel heterocyclic derivatives and their use in the treatment of neurological disorders | NOVARTIS AG | 2013-11-20 | — | — | CN | disclosed |