⚠ 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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL5407059 | 0.85 | LMNA (0.43) | — | |
| Isopropyl Alcohol SCHEMBL10607331 | 0.85 | LMNA (0.43) | — | |
| Carbon Tetrachloride SCHEMBL6450895 | 0.82 | — | — | |
| Isopropyl Alcohol SCHEMBL28203692 | 0.82 | — | — | |
| SCHEMBL7797659 | 0.80 | — | — | |
| Trichloroethane SCHEMBL9551993 | 0.78 | — | — | |
| Trichloromonofluoromethane SCHEMBL11822701 | 0.77 | — | — | |
| Trichloromonofluoromethane SCHEMBL10743076 | 0.73 | TSHR (0.33) | — | |
| Isopropyl Alcohol SCHEMBL6648166 | 0.72 | LMNA (0.46) | — | |
| Isopropyl Alcohol SCHEMBL27752653 | 0.71 | — | — |
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-6110501-A | A TABLET THAT UTILIZES MICROCAPSULES WHEREIN AN ACTIVE SUBSTANCE FORMS THE CORE OF THE MICROCAPSULE AND OTHER CHEMICAL AGENTS(SEEDS) ARE DISPERSED THROUGHOUT THE MICROCAPSULE SHELL TO STRENGTHEN THE SHELL | VERION INC. (US) | 2000-08-29 | — | — | US | claimed |