⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL493397 | 0.81 | HRH1 (0.52) | — | |
| Hydrochloric Acid SCHEMBL27710379 | 0.79 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL8374143 | 0.77 | — | — | |
| SCHEMBL29424113 | 0.77 | — | — | |
| SCHEMBL29614705 | 0.77 | — | — | |
| SCHEMBL3391020 | 0.77 | — | — | |
| SCHEMBL1411802 | 0.77 | — | — | |
| SCHEMBL13415831 | 0.77 | — | — | |
| SCHEMBL3391021 | 0.77 | — | — | |
| SCHEMBL12509477 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008121074-A1 | METHOD OF PRODUCING AN OPTICALLY ACTIVE CYANOHYDRIN DERIVATIVE | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2008-10-09 | — | — | WO | disclosed |
| WO-1993018003-A1 | SUBSTITUED PIPECOLINIC ACID DERIVATIVES AS HIV PROTEASE INHIBITORS | BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) | 1993-09-16 | — | — | WO | disclosed |