⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11374129 | 0.90 | KDR (0.35) | — | |
| SCHEMBL11381338 | 0.87 | KDR (0.36) | — | |
| SCHEMBL11384600 | 0.84 | KDR (0.32) | — | |
| SCHEMBL11376572 | 0.81 | KDR (0.34) | — | |
| SCHEMBL11387137 | 0.80 | NAAA (0.33) | — | |
| SCHEMBL11380256 | 0.78 | KDR (0.34) | — | |
| SCHEMBL11375232 | 0.77 | RIPK1 (0.31) | — | |
| SCHEMBL11491168 | 0.76 | RIPK1 (0.36) | — | |
| SCHEMBL11383035 | 0.75 | S1PR1 (0.33) | — | |
| SCHEMBL11383830 | 0.73 | ALDH1A1 (0.50) | — |
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-4143139-A | ANALGESICS, HYPOTENSIVES, IMMUNOSUPPRESSANTS, TRANQUILIZERS, ANTISECRETORY, ANTI-ANXIETY | PFIZER INC. (US) | 1979-03-06 | — | — | US | disclosed |