⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27689124 | 0.88 | — | — | |
| SCHEMBL372475 | 0.84 | CYP1A2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL10437282 | 0.82 | — | — | |
| SCHEMBL4514254 | 0.82 | CA12 (0.33) | — | |
| SCHEMBL372486 | 0.82 | TSHR (0.39) | — | |
| SCHEMBL5799270 | 0.82 | — | — | |
| SCHEMBL16273184 | 0.82 | ALDH1A1 (0.31) | — | |
| SCHEMBL27455456 | 0.80 | CA12 (0.50) | — | |
| SCHEMBL372722 | 0.80 | TSHR (0.46) | — | |
| SCHEMBL371997 | 0.78 | EPHX1 (0.46) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6054243-A | SILICONE RESIN-COATED CARRIER FOR A DEVELOPER OF AN ELECTROSTATIC LATENT IMAGE; WHERE THE CARRIER HAS A SPECIFIC SURFACE INDEX S, WHERE S=(S'/X)/SC, S' IS BET SURFACE AREA, X CARBON CONTENT OF SILICONE, SC IS SURFACE AREA IF TRUE SPHERE | KONICA CORPORATION (JP) | 2000-04-25 | — | — | US | disclosed |