⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4295727 | 0.94 | ALDH1A1 (0.31) | — | |
| SCHEMBL10794109 | 0.87 | ALDH1A1 (0.35) | — | |
| SCHEMBL9877797 | 0.85 | ALDH1A1 (0.36) | — | |
| SCHEMBL10792605 | 0.85 | CHRNB2 (0.37) | — | |
| SCHEMBL10793061 | 0.83 | ESR1 (0.37) | — | |
| SCHEMBL10794153 | 0.82 | SLC2A1 (0.39) | — | |
| SCHEMBL10795977 | 0.82 | MCL1 (0.38) | — | |
| SCHEMBL10796814 | 0.81 | PDE2A (0.38) | — | |
| SCHEMBL7720749 | 0.80 | ALDH1A1 (0.56) | — | |
| SCHEMBL9877239 | 0.76 | CNR1 (0.36) | — |
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-5001171-A | Process, modified rubbers and rubber compositions | BRIDGESTONE/FIRESTONE, INC. (US) | 1991-03-19 | — | — | US | disclosed |
| US-4788229-A | BLENDING MIXTURES OF UNCURED ELASTOMERS AND FILLERS CONTAINING ELASTOMER-FILLER LINKAGE PROMOTERS; TIRES; FRICTION RESISTANCE; REDUCED HYSTERESIS | THE FIRESTONE TIRE & RUBBER COMPANY (US) | 1988-11-29 | — | — | US | disclosed |