⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8986168 | 0.83 | — | — | |
| SCHEMBL8986186 | 0.83 | — | — | |
| SCHEMBL12377077 | 0.74 | — | — | |
| SCHEMBL12377074 | 0.74 | — | — | |
| SCHEMBL12377071 | 0.74 | — | — | |
| SCHEMBL13193510 | 0.74 | — | — | |
| SCHEMBL20849764 | 0.74 | CHRNB2 (0.32) | — | |
| SCHEMBL20146970 | 0.74 | — | — | |
| SCHEMBL22102327 | 0.72 | — | — | |
| SCHEMBL10884253 | 0.71 | GABRR1 (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023223097-A1 | ANTIBODY DRUG CONJUGATES | NOVARTIS AG (CH) | 2023-11-23 | — | — | WO | disclosed |
| EP-3757095-A2 | HETERO-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME | LT Materials Co., Ltd. (KR) | 2020-12-30 | — | — | EP | disclosed |
| US-8188216-B2 | Combinatorial synthesis of libraries of macrocyclic compounds useful in drug discovery | TRANZYME PHARMA INC. (CA) | 2012-05-29 | — | — | US | disclosed |
| US-7169899-B1 | Cyclic lactams comprising three amino acids and a tether chain to control the overall shape of the macromolecule; beta-turn mimetics to explore conformationally restricted structures; proteolytic enzyme resistance (nonhydrolyzing); cell penetration; anticoagulants; anticarcinogenic agents | TRANZYME PHARMA INC. (CA) | 2007-01-30 | — | — | US | disclosed |