⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL727529 | 0.97 | TSHR (0.31) | — | |
| SCHEMBL43270 | 0.87 | TSHR (0.39) | — | |
| SCHEMBL7539944 | 0.83 | TSHR (0.36) | — | |
| SCHEMBL15972107 | 0.83 | TSHR (0.36) | — | |
| SCHEMBL42164 | 0.79 | — | — | |
| SCHEMBL9183026 | 0.76 | TSHR (0.36) | — | |
| Hydrochloric Acid SCHEMBL28880235 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL8413822 | 0.73 | — | — | |
| SCHEMBL8413589 | 0.73 | — | — | |
| SCHEMBL4666457 | 0.71 | — | — |
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-7244870-B2 | Via cationic polymerization of isobutene in presence of initiator comprising Lewis acid, titanium chloride, borontrichloride, and 2-chloro-2-phenylpropane; for use as fuel/lubricant additives | BASF AKTIENGESELLSCHAFT (DE) | 2007-07-17 | — | — | US | disclosed |