⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL2510522 | 0.94 | — | — | |
| Methane SCHEMBL7940021 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL28365501 | 0.88 | — | — | |
| SCHEMBL27646 | 0.87 | — | — | |
| SCHEMBL18760074 | 0.87 | — | — | |
| SCHEMBL134032 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL28918419 | 0.80 | — | — | |
| Biphenyl SCHEMBL410566 | 0.75 | ALDH1A1 (0.73) | — | |
| Methane SCHEMBL28952840 | 0.71 | ALDH1A1 (0.33) | — | |
| Methane SCHEMBL10447589 | 0.71 | ALDH1A1 (0.89) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115304488-A | Synthetic method of cyclohexylmethylamine and derivatives thereof | 中南大学 | 2022-11-08 | — | — | CN | disclosed |
| EP-1244617-B1 | SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE | ORTHO MCNEIL PHARM INC (US) | 2005-02-16 | — | — | EP | disclosed |
| US-20040092505-A1 | Substituted aminoalkylamide derivatives as antagonists of follicle stimulating hormone | COATS STEVEN J (US) | 2004-05-13 | — | — | US | disclosed |
| US-6583179-B2 | For therapy of uterine fibroids, endometriosis, polycystic ovarian disease, dysfunctional uterine bleeding, breast cancer and ovarian cancer; depletion of oocytes; spermatocyte depletion; for female and male contraception | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2003-06-24 | — | — | US | disclosed |
| US-20020058654-A1 | Substituted aminoalkylamide derivatives as antagonists of follicle stimulating hormone | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2002-05-16 | — | — | US | disclosed |