⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5311664 | 0.89 | ATM (0.45) | — | |
| SCHEMBL5315792 | 0.85 | ATM (0.42) | — | |
| SCHEMBL5310622 | 0.79 | CTSK (0.48) | — | |
| SCHEMBL6309251 | 0.77 | — | — | |
| SCHEMBL5313879 | 0.76 | — | — | |
| SCHEMBL5310077 | 0.74 | ATM (0.49) | — | |
| SCHEMBL6310560 | 0.74 | TRPV1 (0.56) | — | |
| SCHEMBL6305326 | 0.74 | ATM (0.64) | — | |
| SCHEMBL6305322 | 0.74 | ATM (0.64) | — | |
| SCHEMBL6305318 | 0.74 | ATM (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007047575-A2 | PHARMACOLOGICAL TREATMENTS FOR SLEEP-RELATED BREATHING DISORDERS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2007-04-26 | — | — | WO | disclosed |
| 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 | disclosed |
| US-20040063786-A1 | Simplified resiniferatoxin analogues as vanilloid receptor agonist showing excellent analgesic activity and the pharmaceutical compositions containing the same | MEDIFRON DBT CO., LTD. (KR) | 2004-04-01 | — | — | US | disclosed |