⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6905137 | 0.82 | — | — | |
| SCHEMBL16411674 | 0.82 | — | — | |
| SCHEMBL12166851 | 0.82 | FUCA1 (0.41) | — | |
| SCHEMBL21584458 | 0.82 | FUCA1 (0.41) | — | |
| SCHEMBL21381534 | 0.82 | NOS3 (0.30) | — | |
| SCHEMBL23637950 | 0.81 | — | — | |
| SCHEMBL2443414 | 0.81 | NOS3 (0.33) | — | |
| SCHEMBL8193555 | 0.80 | — | — | |
| SCHEMBL25997125 | 0.80 | — | — | |
| SCHEMBL14043116 | 0.80 | — | — |
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-2961745-B1 | PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-03-29 | — | — | EP | disclosed |
| CN-1269935-C | Method for prodn. of gasoline from gaseous hydrocarbon stock | INST NEFTECHIMICHESKOGO SINTEZ (RU) | 2006-08-16 | — | — | CN | disclosed |
| CN-1463290-A | Method for prodn. of gasoline from gaseous hydrocarbon stock | INST NEFTECHIMICHESKOGO SINTEZ (RU) | 2003-12-24 | — | — | CN | disclosed |