⚠ 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 | |
|---|---|---|---|---|
| Chloromethane SCHEMBL7523278 | 0.89 | — | — | |
| SCHEMBL968041 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL967773 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL965556 | 0.86 | — | — | |
| Methane SCHEMBL7526221 | 0.83 | — | — | |
| Benzene SCHEMBL968134 | 0.83 | — | — | |
| SCHEMBL6247636 | 0.82 | — | — | |
| SCHEMBL6813151 | 0.82 | — | — | |
| SCHEMBL8837349 | 0.82 | — | — | |
| Formaldehyde SCHEMBL18152490 | 0.81 | — | — |
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-20020077433-A1 | Catalyst system for the polymerization of dienes | BAYER AKTIENGESELLSCHAFT (DE) | 2002-06-20 | — | — | US | disclosed |