⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7532425 | 0.90 | — | — | |
| SCHEMBL6861415 | 0.90 | — | — | |
| SCHEMBL7525894 | 0.90 | ADRB2 (0.31) | — | |
| SCHEMBL6862569 | 0.88 | — | — | |
| SCHEMBL6864261 | 0.85 | RPS6KA3 (0.35) | — | |
| SCHEMBL5357262 | 0.83 | GAA (0.35) | — | |
| SCHEMBL6861476 | 0.82 | FFAR4 (0.37) | — | |
| SCHEMBL14577828 | 0.80 | NPC1 (0.31) | — | |
| SCHEMBL7148460 | 0.80 | — | — | |
| SCHEMBL7522043 | 0.80 | — | — |
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-6800676-B2 | ULTRAVIOLET RADIATION ABSORBERS; HEAT AND OXIDATION RESISTANCE | CIBA SPECIALTY CHEMICALS CORPORATION | 2004-10-05 | — | — | US | disclosed |
| US-20030004235-A1 | Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith | CIBA SPECIALTY CHEMICALS CORP. | 2003-01-02 | — | — | US | disclosed |
| US-6451887-B1 | Benzotriazoles containing α-cumyl groups substituted by heteroatoms and compositions stabilized therewith | CIBA SPECIALTY CHEMICALS CORPORATION | 2002-09-17 | — | — | US | disclosed |