⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9749611 | 1.00 | — | — | |
| SCHEMBL9749688 | 0.69 | — | — | |
| SCHEMBL9749216 | 0.69 | — | — | |
| SCHEMBL468366 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL2118610 | 0.67 | CYP1A2 (0.30) | — | |
| SCHEMBL10531960 | 0.67 | ALDH1A1 (0.31) | — | |
| Potassium SCHEMBL8421932 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL9647771 | 0.65 | ALDH1A1 (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL9646819 | 0.65 | ALDH1A1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL27691899 | 0.65 | ALDH1A1 (0.33) | — |
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-5145963-A | And polymethine dye in layer on substrate; heat resistance, photostability, durability | RICOH COMPANY, LTD. (JP) | 1992-09-08 | — | — | US | disclosed |
| US-5013634-A | Infrared absorbers, photostability, heat resistance, methine dyes | RICOH COMPANY, LTD. (JP) | 1991-05-07 | — | — | US | disclosed |