⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14659509 | 0.89 | TSHR (0.37) | — | |
| SCHEMBL14659576 | 0.81 | — | — | |
| SCHEMBL7253158 | 0.77 | — | — | |
| SCHEMBL16926971 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL556891 | 0.73 | — | — | |
| SCHEMBL9845016 | 0.73 | — | — | |
| SCHEMBL14659307 | 0.73 | — | — | |
| SCHEMBL555910 | 0.71 | — | — | |
| SCHEMBL14659466 | 0.71 | — | — | |
| SCHEMBL27800574 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0047516-A1 | Propylamine derivative and process of manufacturing the same | TORAY INDUSTRIES, INC. (JP) | 1982-03-17 | — | — | EP | claimed |
| US-9128238-B2 | Optical material and molded product thereof | MITSUI CHEMICALS, INC. (JP) | 2015-09-08 | — | — | US | disclosed |
| US-20130030136-A1 | OPTICAL MATERIAL AND MOLDED PRODUCT THEREOF | MITSUI CHEMICALS, INC. (JP) | 2013-01-31 | — | — | US | disclosed |