⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18681092 | 1.00 | — | — | |
| Carbamic Acid SCHEMBL10822896 | 0.83 | CHRM1 (0.39) | — | |
| SCHEMBL2249274 | 0.82 | — | — | |
| SCHEMBL2256996 | 0.78 | OPRM1 (0.44) | — | |
| SCHEMBL2253714 | 0.73 | — | — | |
| SCHEMBL23236833 | 0.73 | TSHR (0.38) | — | |
| SCHEMBL777162 | 0.73 | TSHR (0.38) | — | |
| SCHEMBL22477465 | 0.71 | — | — | |
| SCHEMBL7962608 | 0.71 | — | — | |
| SCHEMBL3940884 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1315733-A2 | METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 2003-06-04 | — | — | EP | disclosed |
| WO-2002020531-A2 | METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-14 | — | — | WO | disclosed |