⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11134009 | 0.87 | ADRB2 (0.30) | — | |
| SCHEMBL863855 | 0.86 | — | — | |
| SCHEMBL402474 | 0.80 | MAPK1 (0.36) | — | |
| SCHEMBL7627501 | 0.78 | — | — | |
| SCHEMBL3029554 | 0.75 | — | — | |
| SCHEMBL3029552 | 0.75 | MMP8 (0.30) | — | |
| SCHEMBL156011 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL27435701 | 0.73 | — | — | |
| SCHEMBL13249198 | 0.73 | TSHR (0.31) | — | |
| SCHEMBL10661408 | 0.72 | MEN1 (0.30) | — |
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-6319994-B2 | RUBBER BLENDS CONTAINING ONE OR MORE SOLUTION-POLYMERIZED RUBBER CONTAINING PRIMARY HYDROXYL GROUPS, SYNTHESIZED FROM DIOLEFINS AND VINYLAROMATIC MONOMERS; PREPARED FROM MERCAPTO ALCOHOLS; HEAT RESISTANT MOLDINGS, ESPECIALLY TIRES | BAYER AKTIENGESELLSCHAFT (DE) | 2001-11-20 | — | — | US | disclosed |
| US-5322894-A | Molding materials of propylene-unsaturated acid or anhydride graft polymer and ethylene-unsaturated epoxy compound copolymer; balance of properties; heat resistance; impact strength; stiffness; films; sheets | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1994-06-21 | — | — | US | disclosed |
| EP-0443346-A2 | Thermoplastic resin composition | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1991-08-28 | — | — | EP | disclosed |