⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8371275 | 0.76 | MEN1 (0.30) | — | |
| SCHEMBL6699179 | 0.66 | TSHR (0.35) | — | |
| SCHEMBL1751894 | 0.62 | — | — | |
| SCHEMBL8623854 | 0.60 | — | — | |
| SCHEMBL6703126 | 0.60 | TSHR (0.30) | — | |
| SCHEMBL6695075 | 0.60 | TSHR (0.30) | — | |
| SCHEMBL12146398 | 0.57 | — | — | |
| SCHEMBL6699288 | 0.57 | — | — | |
| SCHEMBL6699597 | 0.57 | — | — | |
| SCHEMBL966568 | 0.57 | — | — |
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-5541080-A | SOLVOLYSIS WITH METHANOL IN PRESENCE OF A LIPASE IN NON-POLAR SOLVENT FOLLOWED BY ENANTIOSELECTIVELY CLEAVING ESTER WITH A PROTEASE | WISCONSIN ALUMNI RESEARCH FDN. (US) | 1996-07-30 | — | — | US | disclosed |
| EP-0400499-B1 | Medicine containing acylaminoacid derivatives and dietetic products | KALI CHEMIE AG (DE) | 1994-04-06 | — | — | EP | disclosed |
| EP-0400499-A2 | Medicine containing acylaminoacid derivatives and dietetic products | Kali-Chemie Aktiengesellschaft (DE) | 1990-12-05 | — | — | EP | disclosed |