⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25101179 | 0.49 | — | — | |
| SCHEMBL11330056 | 0.49 | MAPT (0.39) | — | |
| SCHEMBL24008886 | 0.46 | ADRB2 (0.48) | — | |
| SCHEMBL8638829 | 0.46 | ADRB2 (0.48) | — | |
| SCHEMBL12510032 | 0.43 | — | — | |
| SCHEMBL1314596 | 0.41 | ADRB2 (0.72) | — | |
| SCHEMBL20567997 | 0.41 | — | — | |
| SCHEMBL21031336 | 0.41 | — | — | |
| Isopropylamine SCHEMBL19813885 | 0.38 | — | — | |
| Isopropylamine SCHEMBL30440281 | 0.38 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5127077-A | Fiber-optic physiological probes | ABBOTT LABORATORIES (US) | 1992-06-30 | — | — | US | disclosed |
| US-4925268-A | Fiber-optic physiological probes | ABBOTT LABORATORIES (US) | 1990-05-15 | — | — | US | disclosed |