⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18935284 | 0.84 | — | — | |
| SCHEMBL18630377 | 0.75 | TRPA1 (0.30) | — | |
| SCHEMBL19035909 | 0.72 | TRPA1 (0.32) | — | |
| SCHEMBL18935567 | 0.72 | — | — | |
| SCHEMBL20705196 | 0.72 | TRPA1 (0.32) | — | |
| SCHEMBL451879 | 0.68 | — | — | |
| SCHEMBL7834812 | 0.67 | MAOA (0.37) | — | |
| SCHEMBL1273768 | 0.65 | TRPA1 (0.33) | — | |
| SCHEMBL5922747 | 0.64 | — | — | |
| SCHEMBL6123537 | 0.62 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230219933-A1 | STERICALLY SHIELDED HEPTAMETHINE CYANINE DYES | UNIVERSITY OF NOTRE DAME DU LAC (US) | 2023-07-13 | — | — | US | claimed |
| EP-4139402-A1 | STERICALLY SHIELDED HEPTAMETHINE CYANINE DYES | University of Notre Dame du Lac (US) | 2023-03-01 | — | — | EP | claimed |
| WO-2021216183-A1 | STERICALLY SHIELDED HEPTAMETHINE CYANINE DYES | UNIVERSITY OF NOTRE DAME DU LAC (US) | 2021-10-28 | — | — | WO | claimed |
| US-20230219933-A1 | STERICALLY SHIELDED HEPTAMETHINE CYANINE DYES | UNIVERSITY OF NOTRE DAME DU LAC (US) | 2023-07-13 | — | — | US | disclosed |
| EP-4139402-A1 | STERICALLY SHIELDED HEPTAMETHINE CYANINE DYES | University of Notre Dame du Lac (US) | 2023-03-01 | — | — | EP | disclosed |
| CN-111057252-B | Controllable-removal strong-adhesion hydrogel and preparation method thereof | 陕西科技大学 | 2022-11-25 | — | — | CN | disclosed |
| WO-2021216183-A1 | STERICALLY SHIELDED HEPTAMETHINE CYANINE DYES | UNIVERSITY OF NOTRE DAME DU LAC (US) | 2021-10-28 | — | — | WO | disclosed |