⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3762633 | 0.76 | MEN1 (0.32) | — | |
| SCHEMBL4584297 | 0.75 | KMT2A (0.38) | — | |
| SCHEMBL3757397 | 0.74 | MEN1 (0.35) | — | |
| SCHEMBL4585116 | 0.72 | MEN1 (0.32) | — | |
| SCHEMBL3760239 | 0.70 | HSD11B1 (0.37) | — | |
| SCHEMBL3757284 | 0.68 | MEN1 (0.36) | — | |
| SCHEMBL4583841 | 0.66 | HSD11B1 (0.33) | — | |
| SCHEMBL29678428 | 0.66 | CYP3A4 (0.35) | — | |
| SCHEMBL2710959 | 0.66 | MEN1 (0.42) | — | |
| SCHEMBL2710599 | 0.66 | GAA (0.42) | — |
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-7423180-B2 | Bis(3-amino-4-hydroxyphenyl)adamantane derivatives and process for production thereof | IDEMITSU KOSAN CO., LTD. (JP) | 2008-09-09 | — | — | US | disclosed |
| US-20060161016-A1 | Bis(3-amino-4-hydroxyphenyl)adamantane derivatives and process for production thereof | IDEMITSU KOSAN CO., LTD. (JP) | 2006-07-20 | — | — | US | disclosed |
| EP-1602641-A1 | BIS(3-AMINO-4-HYDROXYPHENYL)ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF | IDEMITSU KOSAN COMPANY LIMITED (JP) | 2005-12-07 | — | — | EP | disclosed |