⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7480573 | 1.00 | — | — | |
| SCHEMBL4465846 | 0.86 | USP2 (0.48) | — | |
| SCHEMBL6118063 | 0.86 | USP2 (0.48) | — | |
| SCHEMBL4465842 | 0.86 | USP2 (0.48) | — | |
| SCHEMBL9647513 | 0.81 | — | — | |
| SCHEMBL11697940 | 0.80 | — | — | |
| SCHEMBL4334428 | 0.79 | — | — | |
| SCHEMBL6100147 | 0.78 | — | — | |
| SCHEMBL7654217 | 0.77 | — | — | |
| SCHEMBL19348601 | 0.77 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0742218-B1 | PYRROLOPYRIDAZINE DERIVATIVE | SANKYO CO (JP) | 2002-12-04 | — | — | EP | disclosed |
| US-6063782-A | Pyrrolopyridazine derivatives | SANKYO COMPANY, LIMITED (JP) | 2000-05-16 | — | — | US | disclosed |
| EP-0742218-A1 | PYRROLOPYRIDAZINE DERIVATIVE | SANKYO COMPANY LIMITED (JP) | 1996-11-13 | — | — | EP | disclosed |
| EP-0337862-B1 | 1-HALO-(Z,E) 7,10-DODECADIENE AND A METHOD FOR THE PRODUCTION THEREOF | Shin-Etsu Chemical Co., Ltd. (JP) | 1992-07-08 | — | — | EP | disclosed |
| EP-0232912-B1 | HYDROXAMIC ACIDS OF 7-OXABICYCLOHEPTANE SUBSTITUTED ETHERS | E.R. Squibb & Sons, Inc. (US) | 1992-05-13 | — | — | EP | disclosed |
| US-4918252-A | CHEMICAL INTERMEDIATE FOR SEX PHEROMONE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1990-04-17 | — | — | US | disclosed |
| EP-0337862-A1 | 1-halo-(Z,E) 7,10-dodecadiene and a method for the production thereof | Shin-Etsu Chemical Co., Ltd. (JP) | 1989-10-18 | — | — | EP | disclosed |
| EP-0232912-A1 | Hydroxamic acids of 7-oxabicycloheptane substituted ethers | E.R. Squibb & Sons, Inc. (US) | 1987-08-19 | — | — | EP | disclosed |
| US-4654366-A | ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPSORIATIC | E. R. SQUIBB & SONS, INC. (US) | 1987-03-31 | — | — | US | disclosed |
| EP-0163562-A1 | 7-Oxabicycloheptane substituted ethers | E.R. Squibb & Sons, Inc. (US) | 1985-12-04 | — | — | EP | disclosed |
| US-4550120-A | BRONCHODILATOR AGENTS, ANALGESICS | E. R. SQUIBB & SONS, INC. (US) | 1985-10-29 | — | — | US | disclosed |