⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL79660 | 0.83 | MAPT (0.42) | — | |
| SCHEMBL4379736 | 0.82 | MEN1 (0.35) | — | |
| Water SCHEMBL3302021 | 0.80 | MAPT (0.40) | — | |
| SCHEMBL12790540 | 0.80 | MAPT (0.40) | — | |
| SCHEMBL11501754 | 0.76 | — | — | |
| SCHEMBL1404128 | 0.76 | — | — | |
| SCHEMBL4269361 | 0.76 | — | — | |
| SCHEMBL28171320 | 0.76 | MAPT (0.36) | — | |
| SCHEMBL22996236 | 0.74 | MEN1 (0.36) | — | |
| SCHEMBL7921722 | 0.74 | FDPS (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106083855-B | Purine derivatives useful as Hsp90 inhibitors | 斯隆-凯特林癌症研究院 | 2020-04-10 | — | — | CN | claimed |
| US-10172863-B2 | Purine derivatives useful as HSP90 inhibitors | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2019-01-08 | — | — | US | claimed |
| US-20160310497-A1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH | 2016-10-27 | — | — | US | claimed |
| US-9328114-B2 | Hsp90 inhibitors | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2016-05-03 | — | — | US | claimed |