⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL672512 | 0.78 | — | — | |
| SCHEMBL11814379 | 0.74 | — | — | |
| SCHEMBL25696372 | 0.74 | — | — | |
| SCHEMBL15309715 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL12152515 | 0.74 | — | — | |
| SCHEMBL26316545 | 0.72 | — | — | |
| SCHEMBL25661058 | 0.72 | DPP4 (0.30) | — | |
| SCHEMBL25660390 | 0.72 | DPP4 (0.30) | — | |
| Water SCHEMBL30786947 | 0.71 | — | — | |
| SCHEMBL25660531 | 0.70 | SLC1A2 (0.40) | — |
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-7598253-B2 | Reverse-turn mimetics and methods relating thereto | MYRIAD GENETICS, INC. (US) | 2009-10-06 | — | — | US | disclosed |