⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3402036 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL3402034 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL28108217 | 0.72 | — | — | |
| SCHEMBL14852687 | 0.69 | — | — | |
| SCHEMBL21555603 | 0.69 | — | — | |
| SCHEMBL12730185 | 0.69 | — | — | |
| SCHEMBL271145 | 0.67 | — | — | |
| SCHEMBL12758008 | 0.67 | — | — | |
| SCHEMBL6053035 | 0.67 | — | — | |
| SCHEMBL24928467 | 0.65 | SLC7A5 (0.48) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100068695-A1 | Inhibitor for enzyme having two divalent metal ions as active center | KIYAMA RYUICHI | 2010-03-18 | — | — | US | disclosed |
| EP-1157694-A1 | REMEDIAL AGENT FOR ERECTILE DYSFUNCTION | Nissan Chemical Industries, Ltd. (JP) | 2001-11-28 | — | — | EP | disclosed |
| US-4086224-A | Reduction process for making azo compound | PENNWALT CORPORATION (US) | 1978-04-25 | — | — | US | disclosed |