⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL128243 | 0.85 | — | — | |
| Bromide SCHEMBL1580144 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL8724865 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL29212565 | 0.80 | — | — | |
| SCHEMBL584765 | 0.76 | — | — | |
| Butane SCHEMBL3241131 | 0.70 | — | — | |
| SCHEMBL10708414 | 0.70 | — | — | |
| Propane SCHEMBL25366971 | 0.68 | — | — | |
| Propane SCHEMBL23590 | 0.68 | — | — | |
| Dimethylamine SCHEMBL15648898 | 0.67 | KDM4E (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004074333-A2 | PROCESS FOR HOMO- OR COPOLYMERIZATIONOF CONJUGATED OLEFINES | DOW GLOBAL TECHNOLOGIES INC. (US) | 2004-09-02 | — | — | WO | disclosed |