⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21949111 | 0.80 | — | — | |
| SCHEMBL18509499 | 0.75 | — | — | |
| SCHEMBL9433596 | 0.73 | — | — | |
| SCHEMBL23469858 | 0.73 | — | — | |
| SCHEMBL15427690 | 0.71 | — | — | |
| SCHEMBL27897254 | 0.71 | — | — | |
| SCHEMBL25063306 | 0.71 | — | — | |
| SCHEMBL15100490 | 0.69 | — | — | |
| SCHEMBL24451146 | 0.69 | — | — | |
| SCHEMBL18630450 | 0.69 | — | — |
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-10336747-B2 | Pyrimido[4,5-B]indole derivatives and use thereof in the expansion of hematopoietic stem cells | Université de Montréal | 2019-07-02 | — | — | US | disclosed |
| US-20170334904-A1 | PYRIMIDO[4,5-B]INDOLE DERIVATIVES AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS | Université de Montréal (CA) | 2017-11-23 | — | — | US | disclosed |