⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL98748 | 0.98 | — | — | |
| Bromide SCHEMBL28245258 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL27514119 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL28307731 | 0.93 | NPC1 (0.50) | — | |
| Urea SCHEMBL28133713 | 0.91 | NPC1 (0.49) | — | |
| Biphenyl SCHEMBL27794560 | 0.85 | KMT2A (0.49) | — | |
| Toluene SCHEMBL27844211 | 0.83 | NPC1 (0.58) | — | |
| SCHEMBL30532021 | 0.83 | — | — | |
| Acetone SCHEMBL27732294 | 0.82 | NPC1 (0.61) | — | |
| SCHEMBL28449908 | 0.81 | NPC1 (0.60) | — |
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 |