⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL264243 | 0.74 | — | — | |
| SCHEMBL8755570 | 0.73 | TSHR (0.31) | — | |
| SCHEMBL27623259 | 0.72 | — | — | |
| SCHEMBL12630268 | 0.69 | — | — | |
| SCHEMBL9153481 | 0.69 | TSHR (0.41) | — | |
| SCHEMBL713745 | 0.69 | — | — | |
| SCHEMBL1988020 | 0.69 | — | — | |
| SCHEMBL12630267 | 0.69 | — | — | |
| Ethylene Glycol SCHEMBL28083351 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL11767459 | 0.68 | — | — |
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-5504248-A | Preparation of halogenated compounds | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-04-02 | — | — | US | claimed |
| US-5504248-A | Preparation of halogenated compounds | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-04-02 | — | — | US | disclosed |