⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3800726 | 0.91 | — | — | |
| SCHEMBL27840693 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL28429939 | 0.77 | — | — | |
| SCHEMBL27821428 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL27601730 | 0.74 | CPA1 (0.30) | — | |
| Perchlorate SCHEMBL2362815 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL2059570 | 0.71 | BBOX1 (0.31) | — | |
| SCHEMBL9231885 | 0.70 | — | — | |
| SCHEMBL19253877 | 0.70 | — | — | |
| Perchlorate SCHEMBL9279798 | 0.69 | TSHR (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-4132187-A | — | — | None | — | — | JP | disclosed |
| JP-H04132187-A | THERMOSENSIBLE SHEET AND THERMOSENSIBLE SURFACE HEATER | MATSUSHITA ELECTRIC WORKS LTD | 1992-05-06 | — | — | JP | disclosed |