⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7127897 | 0.96 | HRH3 (0.32) | — | |
| SCHEMBL7123102 | 0.91 | HRH3 (0.35) | — | |
| SCHEMBL7130577 | 0.91 | ALDH1A1 (0.36) | — | |
| SCHEMBL7118092 | 0.89 | HTR1A (0.33) | — | |
| SCHEMBL7123069 | 0.86 | HTR1A (0.33) | — | |
| SCHEMBL7122257 | 0.86 | LMNA (0.32) | — | |
| SCHEMBL7122251 | 0.84 | ALDH1A1 (0.37) | — | |
| SCHEMBL7124375 | 0.82 | HTR1A (0.33) | — | |
| SCHEMBL7126591 | 0.82 | ALDH1A1 (0.34) | — | |
| SCHEMBL7121423 | 0.82 | ALDH1A1 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030050306-A1 | Novel heteroaryl derivatives, their preparation and use | H. LUNDBECK A/S (DK) | 2003-03-13 | — | — | US | claimed |
| EP-1246820-A1 | NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE | H. LUNDBECK A/S (DK) | 2002-10-09 | — | — | EP | claimed |
| WO-2001049683-A1 | NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE | H. LUNDBECK A/S (DK) | 2001-07-12 | — | — | WO | claimed |
| US-20030050306-A1 | Novel heteroaryl derivatives, their preparation and use | H. LUNDBECK A/S (DK) | 2003-03-13 | — | — | US | disclosed |
| EP-1246820-A1 | NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE | H. LUNDBECK A/S (DK) | 2002-10-09 | — | — | EP | disclosed |
| WO-2001049683-A1 | NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE | H. LUNDBECK A/S (DK) | 2001-07-12 | — | — | WO | disclosed |