⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11599171 | 0.86 | TSHR (0.35) | — | |
| SCHEMBL362989 | 0.77 | TSHR (0.38) | — | |
| SCHEMBL493039 | 0.76 | — | — | |
| SCHEMBL11763685 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL28365491 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL2521502 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL21806076 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL11776045 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL28485977 | 0.74 | TSHR (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL27570613 | 0.74 | TSHR (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4105647-A | SOLUTION POLYMERIZATION USING A FRIEDEL-CRAFTS OF ZIEGLER-TYPE CATALYST | EXXON RESEARCH & ENGINEERING CO. (US) | 1978-08-08 | — | — | US | claimed |
| US-4119616-A | Process for sulfonating unsaturated elastomers using acyl sulfates | EXXON RESEARCH & ENGINEERING CO. (US) | 1978-10-10 | — | — | US | disclosed |