⚠ 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 | |
|---|---|---|---|---|
| Pentachloroethane SCHEMBL4728 | 0.85 | — | — | |
| Pentachloroethane SCHEMBL10533616 | 0.83 | FFAR3 (0.44) | — | |
| Pentachloroethane SCHEMBL9131906 | 0.81 | ALDH1A1 (0.43) | — | |
| Pentachloroethane SCHEMBL11767822 | 0.80 | LMNA (0.39) | — | |
| Pentachloroethane SCHEMBL21219234 | 0.78 | TSHR (0.42) | — | |
| Hexachloroethane SCHEMBL11296738 | 0.76 | LMNA (0.36) | — | |
| Pentachloroethane SCHEMBL21219225 | 0.76 | TDP1 (0.50) | — | |
| Pentachloroethane SCHEMBL28177435 | 0.76 | LMNA (0.36) | — | |
| Carbon Tetrachloride SCHEMBL8402265 | 0.76 | TSHR (0.40) | — | |
| Pentachloroethane SCHEMBL28124126 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0419567-A1 | PROCESS FOR INDUCING CYTOCHROME P-450 ENZYMES IN STREPTOMYCES-BACTERIA AND DETERMINING THE MUTAGENICITY OF CHEMICALS. | DU PONT (US) | 1991-04-03 | — | — | EP | disclosed |
| WO-1989012686-A1 | PROCESS FOR INDUCING CYTOCHROME P-450 ENZYMES IN STREPTOMYCES BACTERIA AND DETERMINING THE MUTAGENICITY OF CHEMICALS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1989-12-28 | — | — | WO | disclosed |