⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28275529 | 1.00 | — | — | |
| Cyclopropane SCHEMBL3502737 | 0.93 | — | — | |
| Cyclohexane SCHEMBL28251987 | 0.73 | — | — | |
| Cyclopropane SCHEMBL18956919 | 0.73 | — | — | |
| Cyclohexane SCHEMBL182526 | 0.73 | — | — | |
| Hydrazine SCHEMBL2692899 | 0.73 | — | — | |
| Cyclohexane SCHEMBL28653718 | 0.73 | — | — | |
| Bromide SCHEMBL11044355 | 0.73 | — | — | |
| Cyclopropane SCHEMBL11090628 | 0.73 | — | — | |
| SCHEMBL25378505 | 0.71 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0345171-B1 | Metalloporphyrine derivatives, their therapeutical use and their use in the preparation of hybrid molecules | CENTRE NAT RECH SCIENT (FR) | 1995-12-13 | — | — | EP | disclosed |
| WO-1989012049-A1 | DERIVATIVES OF METALLOPORPHYRINES, THEIR PREPARATION, APPLICATION FOR THERAPEUTICAL PURPOSES AND USE IN PREPARING HYBRID MOLECULES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS (FR) | 1989-12-14 | — | — | WO | disclosed |
| EP-0345171-A1 | Metalloporphyrine derivatives, their therapeutical use and their use in the preparation of hybrid molecules | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 1989-12-06 | — | — | EP | disclosed |