⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14104636 | 0.76 | — | — | |
| SCHEMBL31243129 | 0.74 | — | — | |
| SCHEMBL31243128 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL30388875 | 0.73 | — | — | |
| SCHEMBL27979361 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL14562749 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL28807262 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL28180007 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL7996476 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL2517442 | 0.71 | ALDH1A1 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9683102-B2 | Photo-stable and thermally-stable dye compounds for selective blue light filtered optic | FRONTIER SCIENTIFIC, INC. (US) | 2017-06-20 | — | — | US | disclosed |
| US-9683102-B2 | Photo-stable and thermally-stable dye compounds for selective blue light filtered optic | FRONTIER SCIENTIFIC, INC. (US) | 2017-06-20 | — | — | US | disclosed |
| US-20150316688-A1 | PHOTO-STABLE AND THERMALLY-STABLE DYE COMPOUNDS FOR SELECTIVE BLUE LIGHT FILTERED OPTIC | FRONTIER SCIENTIFIC, INC. (US) | 2015-11-05 | — | — | US | disclosed |