⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17039183 | 0.77 | — | — | |
| SCHEMBL19142193 | 0.76 | GNAO1 (0.35) | — | |
| SCHEMBL17036544 | 0.75 | — | — | |
| SCHEMBL17036501 | 0.71 | — | — | |
| SCHEMBL5822195 | 0.70 | CYP1A2 (0.41) | — | |
| SCHEMBL18294973 | 0.67 | — | — | |
| SCHEMBL3638197 | 0.67 | — | — | |
| SCHEMBL17039192 | 0.67 | — | — | |
| SCHEMBL84790 | 0.66 | — | — | |
| SCHEMBL2475457 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9828396-B2 | Alkyne compounds for treatment of complement mediated disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2017-11-28 | — | — | US | disclosed |
| WO-2015130784-A1 | ALKYNE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS | ACHILLION PHARMACEUTICALS, INC. (US) | 2015-09-03 | — | — | WO | disclosed |
| US-20150239868-A1 | Alkyne Compounds for Treatment of Complement Mediated Disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2015-08-27 | — | — | US | disclosed |