⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL28772955 | 0.72 | TDP1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL1694296 | 0.72 | TDP1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL11648944 | 0.67 | EEF2K (0.33) | — | |
| SCHEMBL4964070 | 0.66 | NSD2 (0.43) | — | |
| Bromide SCHEMBL11511582 | 0.64 | NSD2 (0.42) | — | |
| SCHEMBL21819582 | 0.60 | NSD2 (0.43) | — | |
| SCHEMBL3620608 | 0.60 | MAOA (0.37) | — | |
| SCHEMBL11243590 | 0.59 | — | — | |
| Bromide SCHEMBL11510069 | 0.57 | CDC25B (0.35) | — | |
| SCHEMBL148004 | 0.57 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4361516-A | N-Monosubstituted indoanilines | SOCIETE ANONYME DITE: L'OREAL (FR) | 1982-11-30 | — | — | US | disclosed |
| US-4007747-A | HAIR DYES | SOCIETE ANONYME DITE: L'OREAL (FR) | 1977-02-15 | — | — | US | disclosed |
| US-4008043-A | Diphenylamines for dyeing keratinic fibers | L'OREAL (FR) | 1977-02-15 | — | — | US | disclosed |