⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6309284 | 1.00 | — | — | |
| SCHEMBL6302211 | 0.93 | TRPV1 (0.58) | — | |
| SCHEMBL6308738 | 0.92 | MAPK1 (0.45) | — | |
| SCHEMBL6309678 | 0.92 | MAPK1 (0.45) | — | |
| SCHEMBL6301885 | 0.90 | — | — | |
| SCHEMBL6302478 | 0.90 | TRPV1 (0.50) | — | |
| SCHEMBL6302380 | 0.90 | TRPV1 (0.50) | — | |
| SCHEMBL6308395 | 0.86 | CTSD (0.47) | — | |
| SCHEMBL6302316 | 0.86 | CTSD (0.47) | — | |
| SCHEMBL6301761 | 0.86 | TRPV1 (0.64) | — |
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-6872748-B2 | Simplified resiniferatoxin analogues as vanilloid receptor agonist showing excellent analgesic activity and the pharmaceutical compositions containing the same | DIGITAL BIOTECH CO., LTD. (KR) | 2005-03-29 | — | — | US | claimed |