⚠ 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 | |
|---|---|---|---|---|
| Heptane SCHEMBL25391321 | 0.95 | TSHR (0.73) | — | |
| Hexane SCHEMBL27729721 | 0.90 | — | — | |
| Octane SCHEMBL27969039 | 0.86 | TSHR (0.73) | — | |
| Hexane SCHEMBL27448714 | 0.86 | TSHR (0.58) | — | |
| Hexane SCHEMBL9557662 | 0.84 | TSHR (0.88) | — | |
| Hexane SCHEMBL357364 | 0.84 | TSHR (0.88) | — | |
| Hexane SCHEMBL5017645 | 0.84 | TSHR (0.88) | — | |
| Hexane SCHEMBL8705498 | 0.84 | TSHR (0.88) | — | |
| Hexane SCHEMBL9859565 | 0.84 | TSHR (0.88) | — | |
| Hexane SCHEMBL399 | 0.84 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0193061-B1 | VIABILITY TEST DEVICE | MILES INC. (US) | 1990-01-03 | — | — | EP | disclosed |
| US-4683209-A | Viability test device | MILES LABORATORIES, INC. (US) | 1987-07-28 | — | — | US | disclosed |
| US-4649121-A | Viability test device | MILES LABORATORIES, INC. (US) | 1987-03-10 | — | — | US | disclosed |
| EP-0193061-A2 | Viability test device | MILES INC. (US) | 1986-09-03 | — | — | EP | disclosed |