⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7436843 | 0.86 | — | — | |
| SCHEMBL7431643 | 0.82 | HTR4 (0.32) | — | |
| SCHEMBL7433168 | 0.80 | PIM1 (0.31) | — | |
| SCHEMBL7446163 | 0.79 | — | — | |
| SCHEMBL7431003 | 0.76 | CA2 (0.32) | — | |
| SCHEMBL7436376 | 0.75 | ADRB2 (0.32) | — | |
| SCHEMBL7437580 | 0.75 | CA2 (0.35) | — | |
| SCHEMBL7440937 | 0.73 | CA2 (0.38) | — | |
| SCHEMBL7433144 | 0.73 | ADRB2 (0.35) | — | |
| SCHEMBL7437308 | 0.73 | CA2 (0.38) | — |
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-4499100-A | CARDIOUVASCULAR DISORDERS | SYNTEX (U.S.A.) INC. (US) | 1985-02-12 | — | — | US | disclosed |