⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11437919 | 0.81 | — | — | |
| SCHEMBL6034292 | 0.80 | OPRL1 (0.32) | — | |
| SCHEMBL774748 | 0.78 | — | — | |
| SCHEMBL6408489 | 0.75 | — | — | |
| SCHEMBL384447 | 0.75 | — | — | |
| SCHEMBL6408493 | 0.75 | — | — | |
| SCHEMBL567069 | 0.75 | — | — | |
| SCHEMBL384448 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL1693713 | 0.73 | ESR2 (0.39) | — | |
| Hydrochloric Acid SCHEMBL1032710 | 0.73 | ESR2 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1542981-B1 | PROCESS FOR THE PREPARATION OF 2-AMINO-4,5,6,7-TETRAHYDRO-6-AMINOBENZOTHIAZOLES FROM CYCLOHEXANES AND CYCLOHEXANONES AS INTERMEDIATES | GENERICS UK LTD (GB) | 2009-07-22 | — | — | EP | disclosed |