⚠ 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 | |
|---|---|---|---|---|
| Phenol SCHEMBL786276 | 1.00 | — | — | |
| Phenol SCHEMBL9152178 | 1.00 | CA12 (0.92) | — | |
| Phenol SCHEMBL361925 | 1.00 | CA12 (0.92) | — | |
| Phenol SCHEMBL619965 | 1.00 | CA12 (0.92) | — | |
| Phenol SCHEMBL27528742 | 1.00 | CA12 (0.92) | — | |
| Phenol SCHEMBL1702878 | 1.00 | CA12 (0.92) | — | |
| Phenol SCHEMBL11448074 | 0.96 | — | — | |
| Phenol SCHEMBL10849088 | 0.96 | — | — | |
| Phenol SCHEMBL19328641 | 0.96 | CA12 (0.85) | — | |
| Phenol SCHEMBL11092368 | 0.96 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108329471-A | A kind of lithium-sulphur cell positive electrode active material prenol-sulphur copolymer and preparation method | 天津大学 | 2018-07-27 | — | — | CN | disclosed |
| US-3988506-A | Process for producing chloroprene elastomer | DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JA) | 1976-10-26 | — | — | US | disclosed |