⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4115410 | 0.85 | — | — | |
| SCHEMBL17190535 | 0.83 | — | — | |
| SCHEMBL8956784 | 0.81 | — | — | |
| SCHEMBL26733929 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL28440181 | 0.74 | — | — | |
| SCHEMBL28481450 | 0.74 | TSHR (0.31) | — | |
| SCHEMBL3728650 | 0.74 | — | — | |
| SCHEMBL11554211 | 0.74 | — | — | |
| SCHEMBL3393957 | 0.73 | CYP2D6 (0.31) | — | |
| SCHEMBL8956667 | 0.72 | — | — |
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-20170146549-A1 | ISOBARIC MASS LABELS | ELECTROPHORETICS LIMITED (GB) | 2017-05-25 | — | — | US | disclosed |
| US-20130164748-A1 | Detection of nucleic acid amplification | APPLIED BIOSYSTEMS LLC (US) | 2013-06-27 | — | — | US | disclosed |