⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2972022 | 0.77 | CA2 (0.35) | — | |
| SCHEMBL2983954 | 0.77 | CA2 (0.35) | — | |
| SCHEMBL2972018 | 0.77 | CA2 (0.35) | — | |
| SCHEMBL2979805 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL2976483 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL2973400 | 0.72 | GRIK1 (0.36) | — | |
| SCHEMBL2973406 | 0.72 | GRIK1 (0.36) | — | |
| SCHEMBL2980666 | 0.71 | CHRM1 (0.42) | — | |
| SCHEMBL2980668 | 0.71 | CHRM1 (0.42) | — | |
| SCHEMBL466127 | 0.69 | GRIK1 (0.39) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7772221-B2 | Diaminopropane derived macrocycles as inhibitors of β amyloid production | BRISTOL-MEYERS SQUIBB COMPANY (US) | 2010-08-10 | — | — | US | disclosed |
| US-7772221-B2 | Diaminopropane derived macrocycles as inhibitors of β amyloid production | BRISTOL-MEYERS SQUIBB COMPANY (US) | 2010-08-10 | — | — | US | disclosed |
| US-7772221-B2 | Diaminopropane derived macrocycles as inhibitors of β amyloid production | BRISTOL-MEYERS SQUIBB COMPANY (US) | 2010-08-10 | — | — | US | disclosed |
| US-20080194535-A1 | DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION | BRISTOL-MYERS SQUIBB COMPANY | 2008-08-14 | — | — | US | disclosed |
| US-20080194535-A1 | DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION | BRISTOL-MYERS SQUIBB COMPANY | 2008-08-14 | — | — | US | disclosed |
| US-20080194535-A1 | DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION | BRISTOL-MYERS SQUIBB COMPANY | 2008-08-14 | — | — | US | disclosed |