⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1882552 | 0.86 | — | — | |
| SCHEMBL3165967 | 0.86 | — | — | |
| SCHEMBL21335065 | 0.86 | DAO (0.31) | — | |
| SCHEMBL9350493 | 0.86 | DAO (0.31) | — | |
| SCHEMBL22428325 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL21335043 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL646654 | 0.73 | — | — | |
| SCHEMBL3182637 | 0.70 | DAO (0.33) | — | |
| SCHEMBL14648575 | 0.69 | — | — | |
| SCHEMBL19060090 | 0.68 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0737185-B1 | 7-[CARBOXYALKYL OR ALKENYL]-6-[ALKYL OR ALKENYL] 3-OXO-2,4-DIOXOBICYCLO-[3.2.1] OCTANE AND DERIVATIVES THEREOF | ALLERGAN INC (US) | 1999-03-31 | — | — | EP | disclosed |
| EP-0737185-B1 | 7-[CARBOXYALKYL OR ALKENYL]-6-[ALKYL OR ALKENYL] 3-OXO-2,4-DIOXOBICYCLO-[3.2.1] OCTANE AND DERIVATIVES THEREOF | ALLERGAN INC (US) | 1999-03-31 | — | — | EP | disclosed |
| EP-0737185-B1 | 7-[CARBOXYALKYL OR ALKENYL]-6-[ALKYL OR ALKENYL] 3-OXO-2,4-DIOXOBICYCLO-[3.2.1] OCTANE AND DERIVATIVES THEREOF | ALLERGAN INC (US) | 1999-03-31 | — | — | EP | disclosed |
| EP-0737185-A1 | 7- CARBOXYALKYL OR ALKENYL]-6- ALKYL OR ALKENYL] 3-OXO-2,4-DIOXOBICYCLO- 3.2.1] OCTANE AND DERIVATIVES THEREOF | Allergan (US) | 1996-10-16 | — | — | EP | disclosed |
| EP-0737185-A1 | 7- CARBOXYALKYL OR ALKENYL]-6- ALKYL OR ALKENYL] 3-OXO-2,4-DIOXOBICYCLO- 3.2.1] OCTANE AND DERIVATIVES THEREOF | Allergan (US) | 1996-10-16 | — | — | EP | disclosed |
| US-5516791-A | VISION DEFECTS FOR TREATMENT OF HYPERTENSION OF EYES | ALLERGAN (US) | 1996-05-14 | — | — | US | disclosed |
| US-5516791-A | VISION DEFECTS FOR TREATMENT OF HYPERTENSION OF EYES | ALLERGAN (US) | 1996-05-14 | — | — | US | disclosed |
| WO-1995018103-A1 | 7-[CARBOXYALKYL OR ALKENYL]-6-[ALKYL OR ALKENYL] 3-OXO-2,4-DIOXOBICYCLO-[3.2.1] OCTANE AND DERIVATIVES THEREOF | ALLERGAN (US) | 1995-07-06 | — | — | WO | disclosed |
| WO-1995018103-A1 | 7-[CARBOXYALKYL OR ALKENYL]-6-[ALKYL OR ALKENYL] 3-OXO-2,4-DIOXOBICYCLO-[3.2.1] OCTANE AND DERIVATIVES THEREOF | ALLERGAN (US) | 1995-07-06 | — | — | WO | disclosed |
| WO-1995018103-A1 | 7-[CARBOXYALKYL OR ALKENYL]-6-[ALKYL OR ALKENYL] 3-OXO-2,4-DIOXOBICYCLO-[3.2.1] OCTANE AND DERIVATIVES THEREOF | ALLERGAN (US) | 1995-07-06 | — | — | WO | disclosed |
| US-5416106-A | Ocular hypotensive agents | ALLERGAN, INC. (US) | 1995-05-16 | — | — | US | disclosed |
| US-5416106-A | Ocular hypotensive agents | ALLERGAN, INC. (US) | 1995-05-16 | — | — | US | disclosed |