⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL471023 | 0.72 | — | — | |
| SCHEMBL9862139 | 0.71 | — | — | |
| SCHEMBL837171 | 0.64 | — | — | |
| SCHEMBL10092863 | 0.61 | — | — | |
| SCHEMBL19594872 | 0.61 | — | — | |
| SCHEMBL825409 | 0.60 | — | — | |
| SCHEMBL28177105 | 0.60 | — | — | |
| SCHEMBL22127718 | 0.59 | — | — | |
| SCHEMBL706367 | 0.58 | — | — | |
| SCHEMBL18055952 | 0.58 | HSD17B10 (0.39) | — |
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-0134931-B1 | POLYSILOXANE COMPOSITIONS HARDENING INTO ELASTOMERS AT AMBIENT TEMPERATURE | BAYER AG (DE) | 1988-03-09 | — | — | EP | disclosed |
| US-4588770-A | CONTAIN MODIFIED POLYESTERS AND FILLERS | BAYER AKTIENGESELLSCHAFT (DE) | 1986-05-13 | — | — | US | disclosed |
| EP-0134931-A1 | Polysiloxane compositions hardening into elastomers at ambient temperature | BAYER AG (DE) | 1985-03-27 | — | — | EP | disclosed |