⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29001088 | 0.97 | — | — | |
| SCHEMBL7085362 | 0.80 | — | — | |
| SCHEMBL6174733 | 0.79 | — | — | |
| SCHEMBL9178430 | 0.79 | — | — | |
| SCHEMBL5872362 | 0.79 | — | — | |
| SCHEMBL5606182 | 0.79 | — | — | |
| SCHEMBL3043334 | 0.78 | — | — | |
| SCHEMBL28863712 | 0.77 | — | — | |
| SCHEMBL27535353 | 0.77 | — | — | |
| SCHEMBL340694 | 0.77 | TGFBR1 (0.47) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020045780-A1 | Biologically active spermidine analogues, pharmaceutical compositions and methods of treatment | BERGERON RAYMOND J (US) | 2002-04-18 | — | — | US | disclosed |
| US-6235794-B1 | ANTICANCER AGENT | UNIVERSITY OF FLORIDA | 2001-05-22 | — | — | US | disclosed |
| US-5539138-A | High affinity chelates containing isothiocyanate groups, useful for coupling with peptides and proteins | MERCK FROSST CANADA, INC. (CA) | 1996-07-23 | — | — | US | disclosed |
| US-5352567-A | Method for processing silver halide color photographic material using composition having a bleaching ability | FUJI PHOTO FILM CO., LTD. (JP) | 1994-10-04 | — | — | US | disclosed |