⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10944570 | 0.83 | MAPK1 (0.35) | — | |
| SCHEMBL11053945 | 0.79 | TSHR (0.40) | — | |
| SCHEMBL3970000 | 0.79 | — | — | |
| SCHEMBL3970002 | 0.79 | — | — | |
| SCHEMBL8515614 | 0.76 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL19207193 | 0.75 | — | — | |
| SCHEMBL4304520 | 0.73 | TP53 (0.37) | — | |
| SCHEMBL18025587 | 0.72 | — | — | |
| SCHEMBL8428847 | 0.72 | ALDH1A1 (0.44) | — | |
| SCHEMBL259449 | 0.72 | NLRP3 (0.36) | — |
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-4525203-A | ((3,4,5,6-Tetrahydro-2H-pyran-2-yl)methoxy)oxabicycloalkane herbicides | SHELL OIL COMPANY (US) | 1985-06-25 | — | — | US | disclosed |