⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11559369 | 0.86 | — | — | |
| SCHEMBL8071873 | 0.81 | — | — | |
| SCHEMBL8506332 | 0.80 | TSHR (0.35) | — | |
| SCHEMBL10694903 | 0.78 | — | — | |
| SCHEMBL7790697 | 0.78 | — | — | |
| SCHEMBL9842683 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL3830066 | 0.78 | — | — | |
| SCHEMBL30457071 | 0.78 | HDAC1 (0.31) | — | |
| SCHEMBL9752364 | 0.77 | — | — | |
| SCHEMBL1141621 | 0.76 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090268279-A1 | REFLECTIVE MATERIAL AND REFLECTOR FOR LIGHT-EMITTING DIODE | IDEMITSU KOSAN CO, LTD. (JP) | 2009-10-29 | — | — | US | disclosed |