⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8535824 | 0.75 | CYP2D6 (0.31) | — | |
| SCHEMBL6967477 | 0.68 | — | — | |
| SCHEMBL8538648 | 0.68 | HTT (0.41) | — | |
| SCHEMBL8535827 | 0.68 | BACE1 (0.43) | — | |
| SCHEMBL4609419 | 0.67 | MLYCD (0.32) | — | |
| SCHEMBL20954016 | 0.65 | CA2 (0.41) | — | |
| SCHEMBL8538797 | 0.65 | CYSLTR2 (0.43) | — | |
| SCHEMBL8538406 | 0.65 | GABRA1 (0.42) | — | |
| SCHEMBL8539857 | 0.62 | KMT2A (0.50) | — | |
| SCHEMBL3620532 | 0.62 | EDNRA (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5808062-A | AIDS THERAPY | WARNER-LAMBERT COMPANY (US) | 1998-09-15 | — | — | US | claimed |