⚠ 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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL28805811 | 0.83 | CYP1A2 (0.30) | — | |
| SCHEMBL37811 | 0.83 | CYP1A2 (0.32) | — | |
| SCHEMBL20136510 | 0.81 | CYP1A2 (0.31) | — | |
| Bromide SCHEMBL8028723 | 0.81 | DNM1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL15330133 | 0.81 | DNM1 (0.35) | — | |
| SCHEMBL11729323 | 0.78 | — | — | |
| SCHEMBL28374043 | 0.77 | — | — | |
| Alcohol SCHEMBL28827022 | 0.77 | CYP1A2 (0.33) | — | |
| SCHEMBL28405505 | 0.77 | — | — | |
| SCHEMBL452817 | 0.77 | DNM1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113260638-A | Modified conjugated diene polymer and rubber composition containing same | 株式会社LG化学 | 2021-08-13 | — | — | CN | disclosed |