⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL333433 | 0.71 | — | — | |
| Isobutyraldehyde SCHEMBL6841306 | 0.68 | — | — | |
| SCHEMBL1046368 | 0.68 | — | — | |
| SCHEMBL4536370 | 0.68 | — | — | |
| SCHEMBL209653 | 0.68 | — | — | |
| SCHEMBL10627711 | 0.67 | — | — | |
| Isobutyraldehyde SCHEMBL2635854 | 0.67 | ADH1B (0.38) | — | |
| Isobutyraldehyde SCHEMBL788159 | 0.67 | ADH1B (0.38) | — | |
| Isobutyraldehyde SCHEMBL2996 | 0.67 | — | — | |
| Isobutyraldehyde SCHEMBL18287436 | 0.67 | — | — |
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-20160084859-A1 | DETECTION OF INDAZOLE SYNTHETIC CANNABINOIDS | RANDOX LABORATORIES LIMITED (GB) | 2016-03-24 | — | — | US | disclosed |