⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL502881 | 0.76 | — | — | |
| SCHEMBL29994942 | 0.76 | — | — | |
| SCHEMBL15918593 | 0.76 | CHRNB2 (0.40) | — | |
| Ammonia Solution, Strong SCHEMBL28239278 | 0.74 | CA12 (0.43) | — | |
| Ammonia Solution, Strong SCHEMBL27672547 | 0.74 | CA12 (0.43) | — | |
| SCHEMBL16451529 | 0.74 | TAAR1 (0.47) | — | |
| SCHEMBL29539478 | 0.74 | LTA4H (0.51) | — | |
| SCHEMBL4465571 | 0.74 | LTA4H (0.51) | — | |
| SCHEMBL31038327 | 0.73 | NQO1 (0.54) | — | |
| SCHEMBL31473575 | 0.73 | CHRNB2 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2948442-B1 | PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2016-10-26 | — | — | EP | disclosed |
| WO-2014114578-A1 | PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-07-31 | — | — | WO | disclosed |