⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14981151 | 0.88 | — | — | |
| SCHEMBL15342 | 0.72 | — | — | |
| SCHEMBL27481422 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL59795 | 0.72 | — | — | |
| SCHEMBL290466 | 0.72 | — | — | |
| SCHEMBL124715 | 0.72 | — | — | |
| SCHEMBL10579853 | 0.72 | — | — | |
| SCHEMBL27738705 | 0.72 | — | — | |
| SCHEMBL28003084 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL21433685 | 0.67 | — | — |
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-9728700-B2 | Phonon scattering material, nanocomposite thermoelectric material, and method of producing the same | TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) | 2017-08-08 | — | — | US | disclosed |
| US-20150280096-A1 | PHONON SCATTERING MATERIAL, NANOCOMPOSITE THERMOELECTRIC MATERIAL, AND METHOD OF PRODUCING THE SAME | ADMATECHS COMPANY LIMITED (JP) | 2015-10-01 | — | — | US | disclosed |