⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL97943 | 0.80 | — | — | |
| Water SCHEMBL11060017 | 0.76 | ALDH1A1 (0.33) | — | |
| Bromide SCHEMBL7715175 | 0.76 | — | — | |
| Propene SCHEMBL11255860 | 0.76 | — | — | |
| Propene SCHEMBL18783170 | 0.74 | — | — | |
| Propene SCHEMBL11319992 | 0.71 | TSHR (0.33) | — | |
| Propene SCHEMBL27719524 | 0.71 | TSHR (0.41) | — | |
| Dichloropropane SCHEMBL2239175 | 0.71 | — | — | |
| Propene SCHEMBL241947 | 0.71 | — | — | |
| Propene SCHEMBL16401493 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104903278-B | Conversion of propane to propylene | 反应35有限责任公司 | 2018-11-09 | — | — | CN | disclosed |
| CN-104903278-A | Conversion of propane to propylene | GRT INC | 2015-09-09 | — | — | CN | disclosed |