⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28941153 | 0.97 | — | — | |
| SCHEMBL9200904 | 0.81 | — | — | |
| SCHEMBL4089430 | 0.78 | — | — | |
| SCHEMBL7285732 | 0.75 | — | — | |
| SCHEMBL24671098 | 0.69 | NOS1 (0.31) | — | |
| SCHEMBL8059654 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL465718 | 0.69 | ALDH1A1 (0.46) | — | |
| SCHEMBL29693022 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL14145231 | 0.69 | — | — | |
| SCHEMBL95244 | 0.69 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210163465-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2021-06-03 | — | — | US | disclosed |
| US-20210163465-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2021-06-03 | — | — | US | disclosed |
| EP-3484878-B1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2020-08-19 | — | — | EP | disclosed |
| US-20190292176-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BISTOL MYERS SQUIBB COMPANY (US) | 2019-09-26 | — | — | US | disclosed |
| US-20190292176-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BISTOL MYERS SQUIBB COMPANY (US) | 2019-09-26 | — | — | US | disclosed |
| WO-2018013774-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-01-18 | — | — | WO | disclosed |
| US-7960562-B2 | Propane-1,3-dione derivative or salt thereof | ASTELLAS PHARMA INC. (JP) | 2011-06-14 | — | — | US | disclosed |
| US-7960562-B2 | Propane-1,3-dione derivative or salt thereof | ASTELLAS PHARMA INC. (JP) | 2011-06-14 | — | — | US | disclosed |
| US-20090181964-A1 | Propane-1,3-Dione Derivative or Salt Thereof | ASTELLAS PHARMA INC. | 2009-07-16 | — | — | US | disclosed |
| US-20090181964-A1 | Propane-1,3-Dione Derivative or Salt Thereof | ASTELLAS PHARMA INC. | 2009-07-16 | — | — | US | disclosed |
| US-5652247-A | VASOPRESSIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD (JP) | 1997-07-29 | — | — | US | disclosed |
| US-5436254-A | Vaopressin antagonists | OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) | 1995-07-25 | — | — | US | disclosed |
| EP-0602209-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-06-22 | — | — | EP | disclosed |
| EP-0382185-B1 | Carbostyril derivatives | OTSUKA PHARMA CO LTD (JP) | 1994-06-15 | — | — | EP | disclosed |
| WO-1994001113-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1994-01-20 | — | — | WO | disclosed |
| US-5225402-A | Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1993-07-06 | — | — | US | disclosed |
| EP-0382185-A2 | Carbostyril derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1990-08-16 | — | — | EP | disclosed |