⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14742759 | 0.97 | — | — | |
| SCHEMBL14742754 | 0.94 | LMNA (0.38) | — | |
| SCHEMBL9566629 | 0.77 | — | — | |
| SCHEMBL1407501 | 0.76 | — | — | |
| SCHEMBL16702767 | 0.73 | — | — | |
| SCHEMBL9798321 | 0.73 | — | — | |
| SCHEMBL28751115 | 0.73 | SMN1; SMN2 (0.33) | — | |
| 1,4-Butanediol SCHEMBL30932429 | 0.71 | — | — | |
| 1,4-Butanediol SCHEMBL18642519 | 0.71 | SMN1; SMN2 (0.58) | — | |
| 1,4-Butanediol SCHEMBL18642509 | 0.71 | SMN1; SMN2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4163832-A | Polythioethers formed by anionic ring opening of episulfides | EXXON RESEARCH & ENGINEERING CO. (US) | 1979-08-07 | — | — | US | disclosed |