⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL40792 | 0.97 | — | — | |
| SCHEMBL27666183 | 0.97 | TSHR (0.56) | — | |
| Hydrochloric Acid SCHEMBL10348676 | 0.94 | — | — | |
| SCHEMBL4144400 | 0.94 | — | — | |
| SCHEMBL2470581 | 0.94 | — | — | |
| Phosphoric Acid SCHEMBL5248801 | 0.94 | TSHR (0.53) | — | |
| SCHEMBL5883973 | 0.94 | TSHR (0.53) | — | |
| SCHEMBL16666216 | 0.94 | TSHR (0.53) | — | |
| SCHEMBL20543353 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL11246913 | 0.94 | TSHR (0.53) | — |
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-4182733-A | REACTING PHOSPHORIC ACID ESTER WITH HALOGENATING AGENT AND AN OLEFIN | BAYER AKTIENGESELLSCHAFT (DE) | 1980-01-08 | — | — | US | disclosed |
| US-4138452-A | INTERMEDIATES FOR INSECTICIDES AND FLAMEPROOFING AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1979-02-06 | — | — | US | disclosed |