⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28239565 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL5242031 | 0.73 | — | — | |
| SCHEMBL28877074 | 0.69 | — | — | |
| SCHEMBL10448999 | 0.68 | — | — | |
| SCHEMBL28738451 | 0.65 | — | — | |
| SCHEMBL4569252 | 0.65 | — | — | |
| SCHEMBL578645 | 0.65 | — | — | |
| SCHEMBL941368 | 0.63 | ALDH1A1 (0.38) | — | |
| SCHEMBL22044608 | 0.62 | TSHR (0.42) | — | |
| SCHEMBL140788 | 0.62 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0722487-A4 | DIRECT MOLECULAR CLONING OF PRIMER EXTENDED DNA | BIO RAD LABORATORIES (US) | 1997-08-20 | — | — | EP | disclosed |
| EP-0722487-A1 | DIRECT MOLECULAR CLONING OF PRIMER EXTENDED DNA | BIO-RAD LABORATORIES, INC. (US) | 1996-07-24 | — | — | EP | disclosed |
| US-5426039-A | Genetic engineering | BIO-RAD LABORATORIES, INC. (US) | 1995-06-20 | — | — | US | disclosed |
| WO-1995007347-A1 | DIRECT MOLECULAR CLONING OF PRIMER EXTENDED DNA | BIO-RAD LABORATORIES, INC. (US) | 1995-03-16 | — | — | WO | disclosed |