⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL48208 | 0.70 | — | — | |
| SCHEMBL1145734 | 0.69 | CA1 (0.50) | — | |
| SCHEMBL607318 | 0.69 | — | — | |
| SCHEMBL1020988 | 0.69 | ALDH1A1 (0.42) | — | |
| SCHEMBL8241151 | 0.68 | CA1 (0.39) | — | |
| SCHEMBL1263886 | 0.67 | — | — | |
| SCHEMBL12765363 | 0.67 | — | — | |
| SCHEMBL1446470 | 0.65 | RELA (0.46) | — | |
| SCHEMBL3476575 | 0.65 | — | — | |
| SCHEMBL12832601 | 0.65 | — | — |
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-RE30798-E | BY REACTING 4-FLUORO-3-NITROANILINES WITH AMMONIA OR A PRIMARY OR SECONDARY AMINE | CLAIROL INCORPORATED (US) | 1981-11-17 | — | — | US | disclosed |
| US-3944612-A | HAIR DYE INTERMEDIATES | CLAIROL INCORPORATED (US) | 1976-03-16 | — | — | US | disclosed |