⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL549699 | 0.93 | — | — | |
| SCHEMBL548493 | 0.88 | HDAC11 (0.30) | — | |
| SCHEMBL548636 | 0.88 | — | — | |
| SCHEMBL548662 | 0.86 | — | — | |
| SCHEMBL549022 | 0.85 | — | — | |
| SCHEMBL549802 | 0.83 | — | — | |
| SCHEMBL548837 | 0.83 | — | — | |
| SCHEMBL549889 | 0.83 | MEN1 (0.31) | — | |
| SCHEMBL548667 | 0.83 | HDAC11 (0.35) | — | |
| SCHEMBL548900 | 0.82 | KMT2A (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8110614-B2 | Adamantane derivative, method for producing the same, and resin composition containing adamantane derivative | IDEMITSU KOSAN CO., LTD. (JP) | 2012-02-07 | — | — | US | disclosed |
| US-20100056663-A1 | ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING THE SAME, AND RESIN COMPOSITION CONTAINING ADAMANTANE DERIVATIVE | IDEMITSU KOSAN CO., LTD. (JP) | 2010-03-04 | — | — | US | disclosed |
| EP-2090563-A1 | ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING THE SAME, AND RESIN COMPOSITION CONTAINING ADAMANTANE DERIVATIVE | IDEMITSU KOSAN COMPANY LIMITED (JP) | 2009-08-19 | — | — | EP | disclosed |