⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL229966 | 0.81 | — | — | |
| SCHEMBL8536888 | 0.77 | — | — | |
| SCHEMBL5837309 | 0.71 | — | — | |
| SCHEMBL229358 | 0.69 | — | — | |
| SCHEMBL28007565 | 0.67 | THRB (0.31) | — | |
| SCHEMBL229915 | 0.65 | THRB (0.33) | — | |
| SCHEMBL11258930 | 0.65 | — | — | |
| SCHEMBL4405318 | 0.64 | — | — | |
| SCHEMBL22534481 | 0.64 | — | — | |
| SCHEMBL28896227 | 0.64 | — | — |
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-5834536-A | REACTING HALOGENATED ALKYL SILANE WITH INORGANIC POLYSULFIDE IN PRESENCE OF WATER AND FILLER(CARRIER) FIBERS OR PARTICLES, THEN DRYING BEFORE MIXING INTO RUBBER; FOR HEAT RESISTANT TIRES HAVING LOW ROLLING RESISTANCE | BAYER AG (DE) | 1998-11-10 | — | — | US | claimed |
| US-5834536-A | REACTING HALOGENATED ALKYL SILANE WITH INORGANIC POLYSULFIDE IN PRESENCE OF WATER AND FILLER(CARRIER) FIBERS OR PARTICLES, THEN DRYING BEFORE MIXING INTO RUBBER; FOR HEAT RESISTANT TIRES HAVING LOW ROLLING RESISTANCE | BAYER AG (DE) | 1998-11-10 | — | — | US | disclosed |
| US-5770754-A | Method of preparing polysulphidic silyl ethers | BAYER AKTIENGESELLSCHAFT (DE) | 1998-06-23 | — | — | US | disclosed |