⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11599216 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL4088485 | 0.71 | — | — | |
| SCHEMBL8462102 | 0.64 | ALDH1A1 (0.36) | — | |
| SCHEMBL8927859 | 0.62 | — | — | |
| SCHEMBL97743 | 0.62 | — | — | |
| SCHEMBL9254254 | 0.62 | — | — | |
| SCHEMBL11238242 | 0.61 | — | — | |
| SCHEMBL8910918 | 0.58 | — | — | |
| SCHEMBL811290 | 0.58 | — | — | |
| SCHEMBL8533959 | 0.58 | — | — |
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-5219474-A | Halogenated alkane and aorganophosphorus compound | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 1993-06-15 | — | — | US | disclosed |
| US-3957923-A | FIREPROOFING | E. I. DU PONT DE NEMOURS & COMPANY (US) | 1976-05-18 | — | — | US | disclosed |