⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9576546 | 0.80 | — | — | |
| SCHEMBL3213962 | 0.77 | — | — | |
| SCHEMBL5702348 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL27783152 | 0.75 | — | — | |
| SCHEMBL16610680 | 0.73 | HSD17B10 (0.35) | — | |
| Methacrylic Acid SCHEMBL29225405 | 0.73 | TSHR (0.38) | — | |
| SCHEMBL467467 | 0.73 | HSD17B10 (0.35) | — | |
| SCHEMBL27814 | 0.73 | CA1 (0.30) | — | |
| SCHEMBL4272708 | 0.70 | TSHR (0.30) | — | |
| SCHEMBL1706451 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0073994-B1 | PLASTIC RTV ORGANOPOLYSILOXANE MOULDING MASSES STORABLE AT THE EXCLUSION OF WATER | BAYER AG (DE) | 1985-12-04 | — | — | EP | disclosed |
| US-4426509-A | Storable crosslinkable organopolysiloxane molding compositions | BAYER AKTIENGESELLSCHAFT (DE) | 1984-01-17 | — | — | US | disclosed |
| EP-0073994-A2 | Plastic RTV organopolysiloxane moulding masses storable at the exclusion of water | BAYER AG (DE) | 1983-03-16 | — | — | EP | disclosed |