⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14447391 | 1.00 | — | — | |
| SCHEMBL22185861 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL23448640 | 0.79 | — | — | |
| SCHEMBL18635772 | 0.78 | — | — | |
| SCHEMBL23350925 | 0.78 | — | — | |
| SCHEMBL21023898 | 0.78 | — | — | |
| SCHEMBL24611805 | 0.78 | — | — | |
| SCHEMBL13451949 | 0.78 | — | — | |
| SCHEMBL14382752 | 0.76 | — | — | |
| SCHEMBL20172580 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8975232-B2 | Macrocyclic kinase inhibitors and uses thereof | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2015-03-10 | — | — | US | disclosed |
| US-20130178429-A1 | MACROCYCLIC KINASE INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2013-07-11 | — | — | US | disclosed |