⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18469318 | 0.86 | — | — | |
| SCHEMBL2516574 | 0.70 | — | — | |
| SCHEMBL27952709 | 0.69 | — | — | |
| SCHEMBL10960595 | 0.69 | GSK3A (0.32) | — | |
| SCHEMBL1728588 | 0.64 | — | — | |
| SCHEMBL3312573 | 0.64 | — | — | |
| SCHEMBL1127083 | 0.63 | — | — | |
| SCHEMBL17894038 | 0.61 | — | — | |
| SCHEMBL27772741 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL29350580 | 0.59 | KDM4E (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1335917-A2 | CONDENSED PYRIDOINDOLE DERIVATIVES | Lilly Icos LLC (US) | 2003-08-20 | — | — | EP | claimed |
| WO-2002028859-A2 | CONDENSED PYRIDOINDOLE DERIVATIVES | LILLY ICOS LLC (US) | 2002-04-11 | — | — | WO | claimed |