⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10204130 | 0.63 | CA12 (0.32) | — | |
| SCHEMBL8917200 | 0.62 | GAA (0.47) | — | |
| SCHEMBL14637801 | 0.57 | ALDH1A1 (0.33) | — | |
| SCHEMBL50995 | 0.56 | CA12 (0.40) | — | |
| SCHEMBL3476154 | 0.56 | CA1 (0.33) | — | |
| SCHEMBL1177539 | 0.53 | ALDH1A1 (0.44) | — | |
| SCHEMBL11338361 | 0.53 | GPR35 (0.31) | — | |
| SCHEMBL10204131 | 0.53 | CA1 (0.35) | — | |
| SCHEMBL5517324 | 0.52 | CA2 (0.56) | — | |
| SCHEMBL9424470 | 0.51 | CA2 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5684165-A | FOR USE IN NONLINEAR OPTICS | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-11-04 | — | — | US | disclosed |
| US-5432286-A | Nonlinear optics | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-07-11 | — | — | US | disclosed |
| EP-0592919-A1 | Substituted thieno[3,2-b]thiophenes and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-04-20 | — | — | EP | disclosed |