⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29580938 | 0.84 | — | — | |
| Fluoride SCHEMBL31058771 | 0.81 | — | — | |
| Fluoride Ion SCHEMBL22345973 | 0.81 | — | — | |
| Bromide SCHEMBL198828 | 0.81 | — | — | |
| Thiocyanic Acid SCHEMBL9799104 | 0.78 | ALDH1A1 (0.35) | — | |
| Thiocyanic Acid SCHEMBL4933402 | 0.76 | — | — | |
| SCHEMBL4939253 | 0.74 | — | — | |
| Thiocyanic Acid SCHEMBL7093929 | 0.64 | — | — | |
| SCHEMBL29606558 | 0.62 | HSD17B10 (0.32) | — | |
| Thiocyanic Acid SCHEMBL31021394 | 0.61 | TSHR (0.36) | — |
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-20120327511-A1 | OPTICAL FILM, METHOD OF PRODUCING OPTICAL FILM, POLARIZING PLATE, DISPLAY PANEL, AND DISPLAY | DAI NIPPON PRINTING CO., LTD. (JP) | 2012-12-27 | — | — | US | disclosed |
| US-20080221353-A1 | Novel phosphonium salt ionic liquid and reaction solvent including the same | NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) | 2008-09-11 | — | — | US | disclosed |