⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4351644 | 0.97 | ALDH1A1 (0.31) | — | |
| SCHEMBL15822631 | 0.97 | ALDH1A1 (0.31) | — | |
| SCHEMBL15821897 | 0.97 | ALDH1A1 (0.31) | — | |
| SCHEMBL3717308 | 0.89 | — | — | |
| SCHEMBL4320931 | 0.79 | — | — | |
| SCHEMBL10002492 | 0.79 | USP2 (0.32) | — | |
| SCHEMBL17315798 | 0.78 | — | — | |
| SCHEMBL14831209 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL4590215 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL7643716 | 0.77 | ALDH1A1 (0.31) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3039024-A1 | PYRROLOPYRIDINE OR PYRAZOLOPYRIDINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2016-07-06 | — | — | EP | claimed |
| EP-2935211-A1 | INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2015-10-28 | — | — | EP | claimed |
| WO-2015028483-A1 | PYRROLOPYRIDINE OR PYRAZOLOPYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2015-03-05 | — | — | WO | claimed |
| WO-2014097140-A1 | INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2014-06-26 | — | — | WO | claimed |
| WO-2009108551-A2 | HETEROARYL AMIDE ANALOGUES | H. LUNDBECK A/S (DK) | 2009-09-03 | — | — | WO | claimed |
| EP-3402469-A1 | P2X7 RECEPTOR ANTAGONISTS FOR RESTORING T-CELL LYMPHOPOIESIS IN SUBJECTS INFECTED WITH HUMAN IMMUNODEFICIENCY VIRUS (HIV) | Institut National de la Sante et de la Recherche Medicale (INSERM) (FR) | 2018-11-21 | — | — | EP | disclosed |
| WO-2017121840-A1 | P2X7 RECEPTOR ANTAGONISTS FOR RESTORING T-CELL LYMPHOPOIESIS IN SUBJECTS INFECTED WITH HUMAN IMMUNODEFICIENCY VIRUS (HIV) | INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) | 2017-07-20 | — | — | WO | disclosed |
| EP-3039024-A1 | PYRROLOPYRIDINE OR PYRAZOLOPYRIDINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2016-07-06 | — | — | EP | disclosed |
| EP-2935211-A1 | INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2015-10-28 | — | — | EP | disclosed |
| EP-2903990-A1 | THERAPEUTICALLY ACTIVE OXAZOLINE DERIVATIVES | UCB Biopharma SPRL (BE) | 2015-08-12 | — | — | EP | disclosed |
| WO-2015028483-A1 | PYRROLOPYRIDINE OR PYRAZOLOPYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2015-03-05 | — | — | WO | disclosed |
| WO-2014097140-A1 | INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2014-06-26 | — | — | WO | disclosed |
| WO-2014053581-A1 | THERAPEUTICALLY ACTIVE OXAZOLINE DERIVATIVES | UCB PHARMA S.A. (BE) | 2014-04-10 | — | — | WO | disclosed |