SCHEMBL4396632

SCHEMBL4396632

O=[N+]([O-])C1=C([N+](=O)[O-])C2=NC1=CC1=NC(=CC3=NC(=CC4=NC(=C2)C=C4)C=C3)C=C1

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL28031948 0.98 — —
SCHEMBL27889190 0.80 — —
SCHEMBL27952661 0.72 — —
SCHEMBL5141266 0.65 — —
SCHEMBL5586171 0.63 — —
SCHEMBL7877925 0.63 — —
SCHEMBL3201610 0.63 — —
SCHEMBL28318827 0.62 BCHE (0.32) —
SCHEMBL21633743 0.62 — —
SCHEMBL431895 0.59 — —

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116898965-A Porphyrin photosensitizer for photodynamic therapy and preparation method thereof 韩庆福 2023-10-20 — — CN claimed
CN-108047234-A A kind of amino and hydroxyl substitution porphyrin fluorescence parent and preparation method 湖南科技大学 2018-05-18 — — CN claimed
CN-116898965-A Porphyrin photosensitizer for photodynamic therapy and preparation method thereof 韩庆福 2023-10-20 — — CN disclosed
CN-110317205-A A kind of chain porphyrin polymer and its synthetic method 长春理工大学 2019-10-11 — — CN disclosed
CN-108047234-A A kind of amino and hydroxyl substitution porphyrin fluorescence parent and preparation method 湖南科技大学 2018-05-18 — — CN disclosed
CN-108047234-A A kind of amino and hydroxyl substitution porphyrin fluorescence parent and preparation method 湖南科技大学 2018-05-18 — — CN disclosed
EP-2099304-B1 CARBORANYLPORPHYRINS AND USES THEREOF BROOKHAVEN SCIENCES ASS LLC (US) 2014-06-25 — — EP disclosed
US-8673265-B2 Carbonylporphyrins and uses thereof BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) 2014-03-18 — — US disclosed
US-20130004419-A1 Carbonylporphyrins and Uses Thereof BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) 2013-01-03 — — US disclosed
US-8287839-B2 Low toxicity boronated porphyrins for use in the treatment, visualization, and diagnosis of tumors via boron neutron capture therapy (BNCT), X-ray radiation therapy (XRT), and photodynamic therapy (PDT); brain, head and neck tumors; diagnosis BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) 2012-10-16 — — US disclosed
CN-101605459-A Carbo-boroalkyl porphyrins and their use BROOKHAVEN SCIENCE ASS LLC (US) 2009-12-16 — — CN disclosed
WO-2008133664-A2 CARBORANYLPORPHYRINS AND USES THEREOF BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) 2008-11-06 — — WO disclosed
US-20080131376-A1 Carboranylporphyrins and uses thereof BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) 2008-06-05 — — US disclosed
EP-0532326-B1 Nitrated metalloporphyrins as catalysts for alkane oxidation SUN CO INC R & M (US) 1996-04-17 — — EP disclosed
US-5312896-A Metal ion porphyrin-containing poly(imide) SRI INTERNATIONAL (US) 1994-05-17 — — US disclosed
US-5280115-A Nitrated metalloporphyrins as catalysts for alkane oxidation SUN COMPANY, INC. (R&M) (US) 1994-01-18 — — US disclosed
US-5252698-A Electrical conductors; liquid crystal polymers SRI INTERNATIONAL (US) 1993-10-12 — — US disclosed
EP-0532326-A2 Nitrated metalloporphyrins as catalysts for alkane oxidation SUN COMPANY, INC. (R&amp;M) (US) 1993-03-17 — — EP disclosed
US-5091502-A Tetraketone porphyrin monomers and the porphyrin-based polymers thereof GENERAL PETROCHEMICAL INDUSTRIES LTD (JP) 1992-02-25 — — US disclosed
US-4908442-A Tetra ketone porphyrin monomers and the process of preparation thereof GENERAL PETROCHEMICAL INDUSTRIES, LIMITED (JP) 1990-03-13 — — US disclosed
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