⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9909550 | 0.89 | KDM4E (0.52) | — | |
| SCHEMBL3552579 | 0.89 | KDM4E (0.52) | — | |
| SCHEMBL27036944 | 0.78 | MEN1 (0.42) | — | |
| SCHEMBL4919308 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL2656164 | 0.74 | — | — | |
| SCHEMBL20327540 | 0.73 | SMYD3 (0.35) | — | |
| SCHEMBL20327699 | 0.73 | SMYD3 (0.35) | — | |
| SCHEMBL14706852 | 0.73 | SMYD3 (0.35) | — | |
| SCHEMBL2668565 | 0.71 | ALDH1A1 (0.42) | — | |
| SCHEMBL12801234 | 0.71 | MEN1 (0.38) | — |
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-1856058-A2 | PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE | Amgen Inc. (US) | 2007-11-21 | — | — | EP | disclosed |
| WO-2006094187-A2 | PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE | AMGEN INC (US) | 2006-09-08 | — | — | WO | disclosed |