⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5090053 | 0.72 | HSD11B1 (0.31) | — | |
| SCHEMBL5095226 | 0.69 | GRIN1 (0.40) | — | |
| SCHEMBL4003953 | 0.67 | GRIN2D (0.36) | — | |
| SCHEMBL5093344 | 0.66 | — | — | |
| SCHEMBL5093325 | 0.64 | GRIN1 (0.38) | — | |
| SCHEMBL2263815 | 0.56 | HSD17B10 (0.54) | — | |
| SCHEMBL3862479 | 0.55 | — | — | |
| SCHEMBL39975 | 0.55 | NPSR1 (0.46) | — | |
| SCHEMBL18175705 | 0.55 | — | — | |
| Hydrochloric Acid SCHEMBL4347112 | 0.55 | HSD17B10 (0.52) | — |
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 |