⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1666899 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL14151135 | 0.74 | — | — | |
| Bromide SCHEMBL27914400 | 0.74 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL16503647 | 0.74 | — | — | |
| SCHEMBL12457457 | 0.71 | HASPIN (0.30) | — | |
| SCHEMBL14312018 | 0.71 | — | — | |
| SCHEMBL20744127 | 0.69 | — | — | |
| SCHEMBL22344982 | 0.69 | — | — | |
| SCHEMBL16118350 | 0.69 | AHR (0.33) | — | |
| SCHEMBL20744130 | 0.68 | CREBBP (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2024389-A2 | IMAGING AGENT | St George's Hospital Medical School (GB) | 2009-02-18 | — | — | EP | disclosed |
| WO-2007129077-A2 | IMAGING AGENT | ST GEORGE'S HOSPITAL MEDICAL SCHOOL (GB) | 2007-11-15 | — | — | WO | disclosed |