⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7429632 | 0.81 | KDM4E (0.31) | — | |
| SCHEMBL7446683 | 0.77 | HTR1A (0.32) | — | |
| SCHEMBL10992158 | 0.76 | IDO1 (0.33) | — | |
| SCHEMBL7446439 | 0.74 | — | — | |
| SCHEMBL7441170 | 0.73 | — | — | |
| SCHEMBL7436351 | 0.72 | AHR (0.33) | — | |
| SCHEMBL7434907 | 0.68 | CA2 (0.43) | — | |
| SCHEMBL7439944 | 0.68 | KDM4E (0.35) | — | |
| SCHEMBL7438082 | 0.66 | NPC1 (0.32) | — | |
| SCHEMBL7439821 | 0.65 | CA2 (0.46) | — |
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 |