⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL504179 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL1883330 | 0.76 | ADRA2A (0.33) | — | |
| SCHEMBL4017065 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL27991434 | 0.64 | — | — | |
| SCHEMBL31408940 | 0.61 | ADRA2A (0.35) | — | |
| SCHEMBL87566 | 0.57 | — | — | |
| SCHEMBL11381051 | 0.57 | CYP2C19 (0.38) | — | |
| SCHEMBL7586156 | 0.57 | LMNA (0.35) | — | |
| SCHEMBL28065420 | 0.57 | MME (0.33) | — | |
| SCHEMBL29026457 | 0.56 | — | — |
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-20050260555-A1 | Chemosensitivity measurement using caspase activity | EVOTEC ANALYTICAL SYSTEMS GMBH | 2005-11-24 | — | — | US | disclosed |
| US-6949350-B1 | Chemosensitivity determination using phosphatidylserine | EVOTEC ANALYTICAL SYSTEMS GMBH (DE) | 2005-09-27 | — | — | US | disclosed |