⚠ 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 SCHEMBL27433902 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL27692480 | 0.90 | — | — | |
| Bromide SCHEMBL31196810 | 0.90 | — | — | |
| Methane SCHEMBL11198559 | 0.90 | — | — | |
| SCHEMBL2326360 | 0.84 | HCAR2 (0.38) | — | |
| Acetic Acid SCHEMBL19086689 | 0.83 | HCAR2 (0.50) | — | |
| SCHEMBL27541628 | 0.77 | HCAR2 (0.39) | — | |
| SCHEMBL31637658 | 0.73 | — | — | |
| SCHEMBL27585501 | 0.72 | HCAR2 (0.30) | — | |
| SCHEMBL10356485 | 0.65 | ESR1 (0.58) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110563655-A | Preparation method of 5- (2-bromoethyl) pyrimidine | 上海毕得医药科技有限公司 | 2019-12-13 | — | — | CN | claimed |
| CN-110563655-A | Preparation method of 5- (2-bromoethyl) pyrimidine | 上海毕得医药科技有限公司 | 2019-12-13 | — | — | CN | disclosed |
| EP-0985671-B1 | PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT | MOCHIDA PHARM CO LTD (JP) | 2003-04-02 | — | — | EP | disclosed |
| US-6197768-B1 | THERAPY, PREVENTION ISCHEMIC HEART DISEASE | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2001-03-06 | — | — | US | disclosed |
| EP-0985671-A1 | PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2000-03-15 | — | — | EP | disclosed |
| US-6018046-A | SELECTIVE ACTION IN INHIBITING CYCLIC GMP-PHOSPHODIESTERASE (CGMP-PDE); PHARMACEUTICALS FOR TREATING DISEASES AGAINST WHICH THE INHIBITORY ACTION IS EFFECTIVE, SUCH AS PULMONARY HYPERTENSION | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2000-01-25 | — | — | US | disclosed |