⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5101879 | 0.76 | HSD11B1 (0.31) | — | |
| SCHEMBL5095102 | 0.75 | — | — | |
| SCHEMBL5930944 | 0.73 | — | — | |
| SCHEMBL13932784 | 0.71 | — | — | |
| SCHEMBL13932773 | 0.70 | CYP17A1 (0.31) | — | |
| SCHEMBL5095108 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL5712562 | 0.66 | — | — | |
| SCHEMBL14791313 | 0.62 | TSHR (0.40) | — | |
| SCHEMBL10285140 | 0.62 | TSHR (0.40) | — | |
| SCHEMBL71132 | 0.62 | TSHR (0.40) | — |
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-7470824-B2 | Adamantane derivative and process for producing the same | IDEMITSU KOSAN CO., LTD. (JP) | 2008-12-30 | — | — | US | disclosed |
| US-20060149073-A1 | Adamantane derivative and process for producing the same | IDEMITSU KOSAN CO. (JP) | 2006-07-06 | — | — | US | disclosed |
| EP-1577285-A1 | ADAMANTANE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME | IDEMITSU KOSAN COMPANY LIMITED (JP) | 2005-09-21 | — | — | EP | disclosed |