⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL181119 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL3142004 | 0.95 | — | — | |
| SCHEMBL181356 | 0.93 | KMT2A (0.32) | — | |
| Hydrochloric Acid SCHEMBL3138121 | 0.91 | KMT2A (0.31) | — | |
| SCHEMBL1618564 | 0.80 | — | — | |
| SCHEMBL13680161 | 0.77 | ADRA2C (0.32) | — | |
| SCHEMBL20430407 | 0.74 | KMT2A (0.30) | — | |
| SCHEMBL12628865 | 0.74 | BCHE (0.32) | — | |
| SCHEMBL2923582 | 0.71 | CASP6 (0.40) | — | |
| SCHEMBL181042 | 0.71 | ALDH1A1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7582123-B2 | Coloring composition comprising at least one azomethine compound with a pyrazolinone unit | L'OREAL S.A. (FR) | 2009-09-01 | — | — | US | disclosed |
| US-20090044348-A1 | Coloring composition comprising at least one azomethine compound with a pyrazolinone unit | L'OREAL S.A. (FR) | 2009-02-19 | — | — | US | disclosed |