⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4627469 | 0.97 | — | — | |
| SCHEMBL28321659 | 0.97 | ALDH1A1 (0.42) | — | |
| SCHEMBL15059 | 0.97 | — | — | |
| SCHEMBL4450753 | 0.97 | — | — | |
| SCHEMBL23175125 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL11455622 | 0.94 | — | — | |
| SCHEMBL7691408 | 0.94 | — | — | |
| SCHEMBL659451 | 0.94 | — | — | |
| SCHEMBL11908447 | 0.94 | — | — | |
| SCHEMBL7859643 | 0.94 | — | — |
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-6303692-B1 | PROVIDING MIXTURE OF RUBBER CEMENT AND 1,3-BUTADIENE; POLYMERIZING INTO SYNDIOTACTIC 1,2-POLYBUTADIENE BY USING CATALYST FORMULATION COMPRISING MOLYBDENUM COMPOUND, HYDROGEN PHOSPHITE COMPOUND AND ORGANOALUMINUM COMPOUND | BRIDGESTONE CORPORATION (JP) | 2001-10-16 | — | — | US | disclosed |
| EP-0281060-B1 | LUBRICATING OIL COMPOSITIONS FOR TRACTION DRIVE | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1993-06-02 | — | — | EP | disclosed |