⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3315948 | 0.73 | — | — | |
| SCHEMBL786395 | 0.73 | NOS3 (0.31) | — | |
| SCHEMBL15481039 | 0.71 | — | — | |
| SCHEMBL15779720 | 0.71 | — | — | |
| SCHEMBL15481037 | 0.71 | — | — | |
| SCHEMBL15481031 | 0.71 | — | — | |
| SCHEMBL21376435 | 0.70 | HDAC1 (0.32) | — | |
| SCHEMBL7759166 | 0.68 | — | — | |
| SCHEMBL18541940 | 0.68 | MAPT (0.31) | — | |
| SCHEMBL20713862 | 0.68 | — | — |
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-5621109-A | OXAZOLE/THIAZOLE DERIVATIVES OF HYDROXYMETHYL HYDRAZONES; SIDE EFFECT REDUCTION | ABBOTT LABORATORIES (US) | 1997-04-15 | — | — | US | claimed |
| US-5461067-A | For HIV infections | ABBOTT LABORATORIES (US) | 1995-10-24 | — | — | US | claimed |