⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17462537 | 0.86 | BACE1 (0.32) | — | |
| SCHEMBL17462538 | 0.83 | TAAR1 (0.43) | — | |
| SCHEMBL17462545 | 0.82 | — | — | |
| SCHEMBL17462539 | 0.80 | BACE1 (0.34) | — | |
| SCHEMBL16881274 | 0.79 | BACE1 (0.35) | — | |
| SCHEMBL17462532 | 0.77 | CHRM2 (0.42) | — | |
| SCHEMBL5777589 | 0.74 | IDO1 (0.41) | — | |
| SCHEMBL5882318 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL24103085 | 0.71 | TAAR1 (0.46) | — | |
| SCHEMBL30219229 | 0.71 | TAAR1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9353090-B2 | Heterocyclic carboxylic acids as activators of soluble guanylate cyclase | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-05-31 | — | — | US | disclosed |
| US-9353090-B2 | Heterocyclic carboxylic acids as activators of soluble guanylate cyclase | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-05-31 | — | — | US | disclosed |
| US-20160024059-A1 | HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-01-28 | — | — | US | disclosed |
| US-20160024059-A1 | HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-01-28 | — | — | US | disclosed |
| WO-2016014463-A1 | HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-01-28 | — | — | WO | disclosed |