⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL687274 | 0.80 | KDM4E (0.40) | — | |
| SCHEMBL4807638 | 0.79 | FFAR4 (0.31) | — | |
| SCHEMBL3229224 | 0.71 | CHRM1 (0.37) | — | |
| SCHEMBL11344999 | 0.66 | ALDH1A1 (0.37) | — | |
| SCHEMBL1963655 | 0.65 | FFAR4 (0.32) | — | |
| Succinic Acid SCHEMBL11335243 | 0.64 | ALDH1A1 (0.36) | — | |
| SCHEMBL12335919 | 0.64 | HPGD (0.48) | — | |
| SCHEMBL6079293 | 0.63 | CHRM1 (0.38) | — | |
| Cadaverine Tartrate SCHEMBL11346970 | 0.62 | ALDH1A1 (0.44) | — | |
| SCHEMBL11340911 | 0.62 | ALDH1A1 (0.55) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7863333-B2 | N-alkylated diaminopropane derivatives as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-01-04 | — | — | US | disclosed |
| US-20080113976-A1 | N-ALKYLATED DIAMINOPROPANE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY | 2008-05-15 | — | — | US | disclosed |
| US-7317019-B2 | N-alkylated diaminopropane derivatives as modulators of chemokine receptor activity | BRISTOL MYERS SQUIBB CO. (US) | 2008-01-08 | — | — | US | disclosed |
| US-20050065147-A1 | N-alkylated diaminopropane derivatives as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY | 2005-03-24 | — | — | US | disclosed |
| US-20050043392-A1 | Lactams of alkylated acyclic diamine derivatives as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY | 2005-02-24 | — | — | US | disclosed |