⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5340445 | 0.67 | — | — | |
| Propane SCHEMBL9246294 | 0.61 | — | — | |
| Propane SCHEMBL10956924 | 0.61 | TSHR (0.43) | — | |
| Propane SCHEMBL286506 | 0.61 | — | — | |
| Propane SCHEMBL1021 | 0.61 | — | — | |
| Propane SCHEMBL9248656 | 0.61 | TSHR (0.43) | — | |
| Propane SCHEMBL4449197 | 0.55 | — | — | |
| Propane SCHEMBL7711629 | 0.55 | — | — | |
| Butane SCHEMBL9292387 | 0.55 | TSHR (0.50) | — | |
| Propane SCHEMBL11076973 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230225186-A1 | ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE | SAMSUNG DISPLAY CO., LTD. (KR) | 2023-07-13 | — | — | US | claimed |
| EP-0551277-A1 | ALUMINUM-FREE MONOCYCLOPENTADIENYL METALLOCENE CATALYSTS FOR OLEFIN POLYMERIZATION. | EXXON CHEMICAL PATENTS INC (US) | 1993-07-21 | — | — | EP | disclosed |