⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2334378 | 0.87 | CYP2A6 (0.44) | — | |
| SCHEMBL25110 | 0.81 | CLK1 (0.44) | — | |
| SCHEMBL25872 | 0.72 | MAPT (0.52) | — | |
| SCHEMBL15512435 | 0.67 | NPC1 (0.32) | — | |
| SCHEMBL2355761 | 0.64 | CYP2A6 (0.37) | — | |
| SCHEMBL15578201 | 0.63 | KDM4E (0.50) | — | |
| SCHEMBL15578035 | 0.63 | KDM4E (0.50) | — | |
| SCHEMBL17511873 | 0.61 | IMPDH2 (0.42) | — | |
| SCHEMBL18687117 | 0.60 | CYP3A4 (0.44) | — | |
| SCHEMBL208082 | 0.59 | BACE1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4142043-A | Substituted 2-imidazolin-5-ones | SANDOZ LTD. (CH) | 1979-02-27 | — | — | US | disclosed |
| US-4005080-A | COLORANTS | SANDOZ LTD. (CH) | 1977-01-25 | — | — | US | disclosed |