⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6928658 | 0.64 | — | — | |
| SCHEMBL12329373 | 0.64 | NOS1 (0.33) | — | |
| SCHEMBL14823638 | 0.61 | — | — | |
| SCHEMBL22612877 | 0.52 | — | — | |
| SCHEMBL2803767 | 0.51 | — | — | |
| SCHEMBL12199688 | 0.50 | ALOX5 (0.43) | — | |
| SCHEMBL14606215 | 0.50 | — | — | |
| Hydrochloric Acid SCHEMBL28458236 | 0.49 | — | — | |
| SCHEMBL9332684 | 0.48 | — | — | |
| SCHEMBL12558640 | 0.47 | — | — |
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-4066681-A | ANTIFERTILITY AGENTS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1978-01-03 | — | — | US | disclosed |