⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6095177 | 0.87 | — | — | |
| SCHEMBL3607639 | 0.79 | CHKA (0.43) | — | |
| SCHEMBL2066752 | 0.79 | CHKA (0.39) | — | |
| SCHEMBL5656747 | 0.78 | CHKA (0.42) | — | |
| SCHEMBL5659840 | 0.78 | CHKA (0.42) | — | |
| SCHEMBL4162890 | 0.78 | CHKA (0.42) | — | |
| SCHEMBL3722313 | 0.75 | ADRA2C (0.40) | — | |
| SCHEMBL3518237 | 0.75 | LMNA (0.42) | — | |
| SCHEMBL1317351 | 0.72 | POLB (0.35) | — | |
| SCHEMBL3883480 | 0.71 | TGFBR1 (0.36) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060100192-A1 | Heteroaryl diazacycloalkanes, their preparation and use | DANPET AB (SE) | 2006-05-11 | — | — | US | claimed |
| JP-2002543070-A | — | — | 2002-12-17 | — | — | JP | claimed |
| EP-1175416-A1 | HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE | NEUROSEARCH A/S (DK) | 2002-01-30 | — | — | EP | claimed |
| WO-2000064885-A1 | HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE | NEUROSEARCH A/S (DK) | 2000-11-02 | — | — | WO | claimed |
| US-7282494-B2 | Heteroaryl diazacycloalkanes, their preparation and use | NEUROSEARCH A/S (DK) | 2007-10-16 | — | — | US | disclosed |
| US-7064118-B2 | Heteroaryl diazacycloalkanes, their preparation and use | NEUROSEARCH A/S (DK) | 2006-06-20 | — | — | US | disclosed |
| US-20060100192-A1 | Heteroaryl diazacycloalkanes, their preparation and use | DANPET AB (SE) | 2006-05-11 | — | — | US | disclosed |