⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27820854 | 0.80 | DGAT1 (0.37) | — | |
| SCHEMBL28836833 | 0.78 | DGAT1 (0.40) | — | |
| SCHEMBL28896158 | 0.72 | GAA (0.35) | — | |
| SCHEMBL16568656 | 0.72 | FFAR3 (0.38) | — | |
| SCHEMBL28262576 | 0.68 | — | — | |
| SCHEMBL64125 | 0.68 | — | — | |
| SCHEMBL28288719 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL28343101 | 0.66 | — | — | |
| SCHEMBL28543740 | 0.65 | ALDH1A1 (0.39) | — | |
| SCHEMBL10727141 | 0.65 | — | — |
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-5690904-A | BRAIN IMAGING AGENTS | AMERSHAM INTERNATIONAL PLC (GB) | 1997-11-25 | — | — | US | disclosed |