⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12492234 | 0.69 | — | — | |
| SCHEMBL2430438 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL17473481 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL30296787 | 0.67 | — | — | |
| SCHEMBL15998534 | 0.65 | — | — | |
| SCHEMBL27620406 | 0.65 | SLC7A5 (0.48) | — | |
| SCHEMBL23992541 | 0.65 | — | — | |
| SCHEMBL22364744 | 0.65 | — | — | |
| SCHEMBL9975442 | 0.65 | — | — | |
| SCHEMBL14050172 | 0.65 | — | — |
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-10660523-B2 | Light-source unit, measurement apparatus, near-infrared microscopic apparatus, optical detection method, imaging method, calculation method, functional bio-related substance, state management method, and manufacturing method | Ando, Hideo (JP) | 2020-05-26 | — | — | US | disclosed |