⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13629843 | 0.80 | — | — | |
| SCHEMBL543681 | 0.79 | — | — | |
| SCHEMBL9911456 | 0.79 | TP53 (0.56) | — | |
| SCHEMBL6986795 | 0.78 | MAPT (0.59) | — | |
| SCHEMBL27795877 | 0.76 | ALDH1A1 (0.61) | — | |
| Ammonia Solution, Strong SCHEMBL27266542 | 0.76 | — | — | |
| SCHEMBL4919293 | 0.75 | — | — | |
| SCHEMBL19475102 | 0.75 | ALDH1A1 (0.55) | — | |
| Ammonia Solution, Strong SCHEMBL27269056 | 0.74 | ALDH1A1 (0.50) | — | |
| SCHEMBL10244651 | 0.73 | HTT (0.51) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3016950-B1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-06-07 | — | — | EP | disclosed |
| US-9663529-B2 | Tricyclic pyrido-carboxamide derivatives as rock inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-05-30 | — | — | US | disclosed |
| US-9663529-B2 | Tricyclic pyrido-carboxamide derivatives as rock inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-05-30 | — | — | US | disclosed |
| US-20160152627-A1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2016-06-02 | — | — | US | disclosed |
| US-20160152627-A1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2016-06-02 | — | — | US | disclosed |
| CN-102947292-B | nitrogen-containing heteroaryl compounds | HOFFMAN-LA ROCHE LTD. (CH) | 2015-08-19 | — | — | CN | disclosed |
| US-5846990-A | Substituted biphenyl isoxazole sulfonamides | BRISTOL-MYERS SQUIBB CO. (US) | 1998-12-08 | — | — | US | disclosed |