⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL8672141 | 1.00 | — | — | |
| SCHEMBL1176752 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL28957836 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL8672145 | 0.62 | — | — | |
| Benzene SCHEMBL757050 | 0.62 | — | — | |
| SCHEMBL8158418 | 0.61 | — | — | |
| SCHEMBL16808 | 0.61 | — | — | |
| SCHEMBL11400628 | 0.55 | — | — | |
| Water SCHEMBL7020027 | 0.55 | — | — | |
| Hydrogen Peroxide SCHEMBL11878430 | 0.55 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5837757-A | FIREPROOF POLYCARBONATE WITH TITANIUM OXIDE AND STILBENE BISBENZOXAZOLE FOR REFLECTORS | IDEMITSU PETROCHEMICAL CO., LTD. (JP) | 1998-11-17 | — | — | US | disclosed |