⚠ 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 | |
|---|---|---|---|---|
| Pyrrolidine SCHEMBL133852 | 0.95 | — | — | |
| Azetidine SCHEMBL29444497 | 0.95 | — | — | |
| Piperidine SCHEMBL13916947 | 0.82 | — | — | |
| Pyrrolidine SCHEMBL13915078 | 0.79 | — | — | |
| Azetidine SCHEMBL29378779 | 0.74 | — | — | |
| Piperidine SCHEMBL13916948 | 0.73 | — | — | |
| Aziridine SCHEMBL3089497 | 0.71 | — | — | |
| Aziridine SCHEMBL16878816 | 0.71 | — | — | |
| Aziridine SCHEMBL2267 | 0.71 | — | — | |
| Aziridine SCHEMBL29376529 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130296279-A1 | SUBSTITUTED TETRACYCLINES | CONCERT PHARMACEUTICALS INC. | 2013-11-07 | — | — | US | disclosed |
| US-20120058085-A1 | Deuterium Modified Benzimidazoles | CONCERT PHARMACEUTICALS, INC. | 2012-03-08 | — | — | US | disclosed |
| US-20120058085-A1 | Deuterium Modified Benzimidazoles | CONCERT PHARMACEUTICALS, INC. | 2012-03-08 | — | — | US | disclosed |
| WO-2010132810-A1 | DEUTERIUM MODIFIED BENZIMIDAZOLES | CONCERT PHARMACEUTICALS, INC. (US) | 2010-11-18 | — | — | WO | disclosed |
| US-20090062374-A1 | DEUTERIUM-ENRICHED LASOFOXIFENE | PROTIA, LLC (US) | 2009-03-05 | — | — | US | disclosed |