⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13494151 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL18901147 | 0.74 | — | — | |
| SCHEMBL10273176 | 0.70 | — | — | |
| SCHEMBL19580748 | 0.68 | — | — | |
| SCHEMBL3825307 | 0.67 | NOTUM (0.41) | — | |
| Hydrochloric Acid SCHEMBL15464406 | 0.67 | — | — | |
| SCHEMBL13855693 | 0.64 | NOTUM (0.38) | — | |
| SCHEMBL20170529 | 0.60 | NOTUM (0.39) | — | |
| Oxalic Acid SCHEMBL3339413 | 0.60 | NOTUM (0.39) | — | |
| SCHEMBL15423508 | 0.56 | ELANE (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170137439-A1 | sGC STIMULATORS | IRONWOOD PHARMACEUTICALS, INC. (US) | 2017-05-18 | — | — | US | disclosed |
| US-20170136019-A1 | sGC STIMULATORS | IRONWOOD PHARMACEUTICALS, INC. (US) | 2017-05-18 | — | — | US | disclosed |
| US-9481689-B2 | sGC stimulators | IRONWOOD PHARMACEUTICALS, INC. (US) | 2016-11-01 | — | — | US | disclosed |
| US-20160031903-A1 | sGC STIMULATORS | IRONWOOD PHARMACEUTICALS, INC. (US) | 2016-02-04 | — | — | US | disclosed |