⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2917021 | 0.93 | MAOA (0.50) | — | |
| SCHEMBL2273992 | 0.86 | — | — | |
| SCHEMBL150899 | 0.77 | — | — | |
| SCHEMBL5662539 | 0.77 | — | — | |
| SCHEMBL2003673 | 0.77 | — | — | |
| SCHEMBL8198194 | 0.77 | — | — | |
| SCHEMBL1231894 | 0.77 | — | — | |
| SCHEMBL28318331 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL30329811 | 0.76 | CAPN1 (0.46) | — | |
| SCHEMBL724247 | 0.76 | CAPN1 (0.46) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010005528-A2 | PYRROLOPYRIDINE CARBOXYLIC ACID DERIVATIVES | IRONWOOD PHARMACEUTICALS INCORPORATED (US) | 2010-01-14 | — | — | WO | claimed |
| WO-2010005528-A2 | PYRROLOPYRIDINE CARBOXYLIC ACID DERIVATIVES | IRONWOOD PHARMACEUTICALS INCORPORATED (US) | 2010-01-14 | — | — | WO | disclosed |
| US-20090095624-A1 | Electroactive complex, electroactive probe and preparation method | BIOMERIEUX (FR) | 2009-04-16 | — | — | US | disclosed |
| US-20090095624-A1 | Electroactive complex, electroactive probe and preparation method | BIOMERIEUX (FR) | 2009-04-16 | — | — | US | disclosed |